(4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide

C25H21ClN4O3 — CID 1132011

IUPAC(4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2nc1Cl
InChIInChI=1S/C25H21ClN4O3/c1-13-8-9-18-15(10-13)11-16(23(26)29-18)22-17(12-27)24(28)33-14(2)21(22)25(31)30-19-6-4-5-7-20(19)32-3/h4-11,22H,28H2,1-3H3,(H,30,31)/t22-/m1/s1
InChIKeyZGRLNYKACIEHNP-JOCHJYFZSA-N
MW460.92 g/mol
LogP4.93
Rot. Bonds4

About (4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide

(4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide (PubChem CID 1132011) has the molecular formula C25H21ClN4O3 and a molecular weight of 460.92 g/mol. Its IUPAC name is (4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide.

Molecular Properties

Compound Name(4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
PubChem CID1132011
Molecular FormulaC25H21ClN4O3
Molecular Weight460.92 g/mol
Exact Mass460.13
IUPAC Name(4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2nc1Cl
InChIInChI=1S/C25H21ClN4O3/c1-13-8-9-18-15(10-13)11-16(23(26)29-18)22-17(12-27)24(28)33-14(2)21(22)25(31)30-19-6-4-5-7-20(19)32-3/h4-11,22H,28H2,1-3H3,(H,30,31)/t22-/m1/s1
InChIKeyZGRLNYKACIEHNP-JOCHJYFZSA-N
XLogP4.93
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-amino-4-(2-chloro-6-methylquinolin-3-yl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide
CID 23908247
5-acetyl-2-amino-4-(2-chloro-6-methylquinolin-3-yl)-6-methyl-4H-pyran-3-carbonitrile
CID 3514864
(4S)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
CID 27234482
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 6-amino-4-(2-chloro-6-ethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 3141895
2-methoxyethyl 6-amino-4-(2-chloro-6,7-dimethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 3170408
ethyl 6-amino-4-(2-chloro-6,7-dimethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 3168008
methyl (4S)-6-amino-4-(2-chloro-8-methylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 1374274
methyl (4S)-6-amino-5-cyano-2-methyl-4-(6-methyl-2-piperidin-1-ylquinolin-3-yl)-4H-pyran-3-carboxylate
CID 1373249
prop-2-enyl 6-amino-4-(2-chloro-7-methoxyquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 3169410
ethyl (4S)-6-amino-2-(chloromethyl)-4-(2-chloro-7-methylquinolin-3-yl)-5-cyano-4H-pyran-3-carboxylate
CID 1130170
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

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?
The IUPAC name of (4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide (CID 1132011) is (4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide.
What is the SMILES notation for (4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?
The canonical SMILES for (4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide is COc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2nc1Cl.
What is the InChIKey of (4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?
The InChIKey is ZGRLNYKACIEHNP-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H21ClN4O3/c1-13-8-9-18-15(10-13)11-16(23(26)29-18)22-17(12-27)24(28)33-14(2)21(22)25(31)30-19-6-4-5-7-20(19)32-3/h4-11,22H,28H2,1-3H3,(H,30,31)/t22-/m1/s1.
What are the key properties of (4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide?
(4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide has a molecular weight of 460.92 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-4-(2-chloro-6-methylquinolin-3-yl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide is sourced from PubChem (CID 1132011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).