N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide

C23H25N3O4 — CID 10112057

IUPACN-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(CC=C(C)C)c(=O)n3C)cc1
InChIInChI=1S/C23H25N3O4/c1-15(2)11-12-26-22(28)19-13-17(7-10-20(19)25(3)23(26)29)21(27)24-14-16-5-8-18(30-4)9-6-16/h5-11,13H,12,14H2,1-4H3,(H,24,27)
InChIKeyLGHFVPACKPDVHF-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.61
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide

N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide (PubChem CID 10112057) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide
PubChem CID10112057
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(CC=C(C)C)c(=O)n3C)cc1
InChIInChI=1S/C23H25N3O4/c1-15(2)11-12-26-22(28)19-13-17(7-10-20(19)25(3)23(26)29)21(27)24-14-16-5-8-18(30-4)9-6-16/h5-11,13H,12,14H2,1-4H3,(H,24,27)
InChIKeyLGHFVPACKPDVHF-UHFFFAOYSA-N
XLogP2.61
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide with MolForge

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Related Compounds

2-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]acetic acid
CID 70149214
(E)-4-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]but-2-enoic acid
CID 10137103
3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036
3-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10200588
N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-phenylpropyl)quinazoline-6-carboxamide
CID 10115305
N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[(E)-3-pyridin-3-ylprop-2-enyl]quinazoline-6-carboxamide
CID 10204611
3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10187024
2-chloro-4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]methyl]benzoic acid
CID 70148537
[3-(dimethylamino)-2,2-dimethylpropyl] 4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]methyl]benzoate
CID 59926355
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
tert-butyl-[5-[[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]methyl]-2-pyridinyl]carbamic acid
CID 70148240
methyl 4-[[1-ethyl-6-[(4-methoxyphenyl)methylcarbamoyl]-2,4-dioxoquinazolin-3-yl]methyl]benzoate
CID 70147886

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide (CID 10112057) is N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(CC=C(C)C)c(=O)n3C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide?
The InChIKey is LGHFVPACKPDVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(2)11-12-26-22(28)19-13-17(7-10-20(19)25(3)23(26)29)21(27)24-14-16-5-8-18(30-4)9-6-16/h5-11,13H,12,14H2,1-4H3,(H,24,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide is sourced from PubChem (CID 10112057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).