6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide

C26H24N4O4 — CID 23829420

IUPAC6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide
SMILESCOc1ccc2cc(C3C(C#N)=C(N)OC(C)=C3C(=O)Nc3ccc(C)cc3C)c(=O)[nH]c2c1
InChIInChI=1S/C26H24N4O4/c1-13-5-8-20(14(2)9-13)29-26(32)22-15(3)34-24(28)19(12-27)23(22)18-10-16-6-7-17(33-4)11-21(16)30-25(18)31/h5-11,23H,28H2,1-4H3,(H,29,32)(H,30,31)
InChIKeyNGWPUXPQHARXQA-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.87
Rot. Bonds4

About 6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide

6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide (PubChem CID 23829420) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide
PubChem CID23829420
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide
SMILESCOc1ccc2cc(C3C(C#N)=C(N)OC(C)=C3C(=O)Nc3ccc(C)cc3C)c(=O)[nH]c2c1
InChIInChI=1S/C26H24N4O4/c1-13-5-8-20(14(2)9-13)29-26(32)22-15(3)34-24(28)19(12-27)23(22)18-10-16-6-7-17(33-4)11-21(16)30-25(18)31/h5-11,23H,28H2,1-4H3,(H,29,32)(H,30,31)
InChIKeyNGWPUXPQHARXQA-UHFFFAOYSA-N
XLogP3.87
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
CID 23857742
ethyl (4R)-6-amino-5-cyano-2-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
CID 1135124
ethyl (4R)-6-amino-5-cyano-4-(6-ethoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate
CID 1135286
ethyl (4R)-6-amino-5-cyano-4-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2-propyl-4H-pyran-3-carboxylate
CID 1174932
ethyl 6-amino-5-cyano-4-(4-methoxy-2-methylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169390462
ethyl 6-amino-5-cyano-4-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate
CID 3167903
(4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
CID 1132011
methyl 6-amino-5-cyano-4-(2,5-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 3240776
prop-2-enyl (4S)-6-amino-5-cyano-4-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxylate
CID 7107930
ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 777256
prop-2-enyl (4S)-6-amino-5-cyano-2-methyl-4-(8-methyl-2-oxo-1H-quinolin-3-yl)-4H-pyran-3-carboxylate
CID 7107919
(4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 1135142

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide?
The IUPAC name of 6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide (CID 23829420) is 6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide.
What is the SMILES notation for 6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide?
The canonical SMILES for 6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide is COc1ccc2cc(C3C(C#N)=C(N)OC(C)=C3C(=O)Nc3ccc(C)cc3C)c(=O)[nH]c2c1.
What is the InChIKey of 6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide?
The InChIKey is NGWPUXPQHARXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-13-5-8-20(14(2)9-13)29-26(32)22-15(3)34-24(28)19(12-27)23(22)18-10-16-6-7-17(33-4)11-21(16)30-25(18)31/h5-11,23H,28H2,1-4H3,(H,29,32)(H,30,31).
What are the key properties of 6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide?
6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-cyano-N-(2,4-dimethylphenyl)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-methyl-4H-pyran-3-carboxamide is sourced from PubChem (CID 23829420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).