8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one

C129H110N16O13 — CID 157301404

IUPAC8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one
SMILESC#CCOc1ccc(/C=C/c2nc3ncccc3c(=O)o2)cc1C.C/C(=C\c1nc2c(N)cccc2c(=O)o1)c1ccc(C)c(C)c1.Cc1ccc(/C=C(\C#N)c2nc3c(C(=O)O)cccc3c(=O)[nH]2)cc1C.Cc1ccc(/C=C/c2nc3ccncc3c(=O)o2)cc1C.Cc1ccc(/C=C/c2nc3cnccc3c(=O)[nH]2)cc1C.Cc1ccc(/C=C/c2nc3ncccc3c(=O)[nH]2)cc1C.Cc1ccc(C2CC2C2=Nc3ccccc3CC2=O)cc1C
InChIInChI=1S/C20H15N3O3.C20H19NO.C19H14N2O3.C19H18N2O2.2C17H15N3O.C17H14N2O2/c1-11-6-7-13(8-12(11)2)9-14(10-21)18-22-17-15(19(24)23-18)4-3-5-16(17)20(25)26;1-12-7-8-14(9-13(12)2)16-11-17(16)20-19(22)10-15-5-3-4-6-18(15)21-20;1-3-11-23-16-8-6-14(12-13(16)2)7-9-17-21-18-15(19(22)24-17)5-4-10-20-18;1-11-7-8-14(9-12(11)2)13(3)10-17-21-18-15(19(22)23-17)5-4-6-16(18)20;1-11-3-4-13(9-12(11)2)5-6-16-19-15-10-18-8-7-14(15)17(21)20-16;1-11-5-6-13(10-12(11)2)7-8-15-19-16-14(17(21)20-15)4-3-9-18-16;1-11-3-4-13(9-12(11)2)5-6-16-19-15-7-8-18-10-14(15)17(20)21-16/h3-9H,1-2H3,(H,25,26)(H,22,23,24);3-9,16-17H,10-11H2,1-2H3;1,4-10,12H,11H2,2H3;4-10H,20H2,1-3H3;3-10H,1-2H3,(H,19,20,21);3-10H,1-2H3,(H,18,19,20,21);3-10H,1-2H3/b14-9+;;9-7+;13-10+;6-5+;8-7+;6-5+
InChIKeyBBYHFOPQXWAEOS-WQEHDDEZSA-N
MW2092.40 g/mol
LogP24.21
Rot. Bonds17

About 8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one

8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one (PubChem CID 157301404) has the molecular formula C129H110N16O13 and a molecular weight of 2092.40 g/mol. Its IUPAC name is 8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one
PubChem CID157301404
Molecular FormulaC129H110N16O13
Molecular Weight2092.40 g/mol
Exact Mass2090.84
IUPAC Name8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one
SMILESC#CCOc1ccc(/C=C/c2nc3ncccc3c(=O)o2)cc1C.C/C(=C\c1nc2c(N)cccc2c(=O)o1)c1ccc(C)c(C)c1.Cc1ccc(/C=C(\C#N)c2nc3c(C(=O)O)cccc3c(=O)[nH]2)cc1C.Cc1ccc(/C=C/c2nc3ccncc3c(=O)o2)cc1C.Cc1ccc(/C=C/c2nc3cnccc3c(=O)[nH]2)cc1C.Cc1ccc(/C=C/c2nc3ncccc3c(=O)[nH]2)cc1C.Cc1ccc(C2CC2C2=Nc3ccccc3CC2=O)cc1C
InChIInChI=1S/C20H15N3O3.C20H19NO.C19H14N2O3.C19H18N2O2.2C17H15N3O.C17H14N2O2/c1-11-6-7-13(8-12(11)2)9-14(10-21)18-22-17-15(19(24)23-18)4-3-5-16(17)20(25)26;1-12-7-8-14(9-13(12)2)16-11-17(16)20-19(22)10-15-5-3-4-6-18(15)21-20;1-3-11-23-16-8-6-14(12-13(16)2)7-9-17-21-18-15(19(22)24-17)5-4-10-20-18;1-11-7-8-14(9-12(11)2)13(3)10-17-21-18-15(19(22)23-17)5-4-6-16(18)20;1-11-3-4-13(9-12(11)2)5-6-16-19-15-10-18-8-7-14(15)17(21)20-16;1-11-5-6-13(10-12(11)2)7-8-15-19-16-14(17(21)20-15)4-3-9-18-16;1-11-3-4-13(9-12(11)2)5-6-16-19-15-7-8-18-10-14(15)17(20)21-16/h3-9H,1-2H3,(H,25,26)(H,22,23,24);3-9,16-17H,10-11H2,1-2H3;1,4-10,12H,11H2,2H3;4-10H,20H2,1-3H3;3-10H,1-2H3,(H,19,20,21);3-10H,1-2H3,(H,18,19,20,21);3-10H,1-2H3/b14-9+;;9-7+;13-10+;6-5+;8-7+;6-5+
InChIKeyBBYHFOPQXWAEOS-WQEHDDEZSA-N
XLogP24.21
TPSA443.88 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002092.40
LogP ≤ 524.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one (CID 157301404) is 8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one is C#CCOc1ccc(/C=C/c2nc3ncccc3c(=O)o2)cc1C.C/C(=C\c1nc2c(N)cccc2c(=O)o1)c1ccc(C)c(C)c1.Cc1ccc(/C=C(\C#N)c2nc3c(C(=O)O)cccc3c(=O)[nH]2)cc1C.Cc1ccc(/C=C/c2nc3ccncc3c(=O)o2)cc1C.Cc1ccc(/C=C/c2nc3cnccc3c(=O)[nH]2)cc1C.Cc1ccc(/C=C/c2nc3ncccc3c(=O)[nH]2)cc1C.Cc1ccc(C2CC2C2=Nc3ccccc3CC2=O)cc1C.
What is the InChIKey of 8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?
The InChIKey is BBYHFOPQXWAEOS-WQEHDDEZSA-N. The full InChI is InChI=1S/C20H15N3O3.C20H19NO.C19H14N2O3.C19H18N2O2.2C17H15N3O.C17H14N2O2/c1-11-6-7-13(8-12(11)2)9-14(10-21)18-22-17-15(19(24)23-18)4-3-5-16(17)20(25)26;1-12-7-8-14(9-13(12)2)16-11-17(16)20-19(22)10-15-5-3-4-6-18(15)21-20;1-3-11-23-16-8-6-14(12-13(16)2)7-9-17-21-18-15(19(22)24-17)5-4-10-20-18;1-11-7-8-14(9-12(11)2)13(3)10-17-21-18-15(19(22)23-17)5-4-6-16(18)20;1-11-3-4-13(9-12(11)2)5-6-16-19-15-10-18-8-7-14(15)17(21)20-16;1-11-5-6-13(10-12(11)2)7-8-15-19-16-14(17(21)20-15)4-3-9-18-16;1-11-3-4-13(9-12(11)2)5-6-16-19-15-7-8-18-10-14(15)17(20)21-16/h3-9H,1-2H3,(H,25,26)(H,22,23,24);3-9,16-17H,10-11H2,1-2H3;1,4-10,12H,11H2,2H3;4-10H,20H2,1-3H3;3-10H,1-2H3,(H,19,20,21);3-10H,1-2H3,(H,18,19,20,21);3-10H,1-2H3/b14-9+;;9-7+;13-10+;6-5+;8-7+;6-5+.
What are the key properties of 8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?
8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one has a molecular weight of 2092.40 g/mol, XLogP of 24.21, 17 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-[(E)-2-(3,4-dimethylphenyl)prop-1-enyl]-3,1-benzoxazin-4-one;2-[(E)-1-cyano-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3H-quinazoline-8-carboxylic acid;2-[2-(3,4-dimethylphenyl)cyclopropyl]-4H-quinolin-3-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 157301404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).