2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide

C31H30ClN7O2 — CID 90671588

IUPAC2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(-n2ccnc2)c1C1C(C(N)=O)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C31H30ClN7O2/c1-18-24(30(37-14-13-35-17-37)39(36-18)21-7-5-4-6-8-21)26-25-22(15-31(2,3)16-23(25)40)38(28(33)27(26)29(34)41)20-11-9-19(32)10-12-20/h4-14,17,26H,15-16,33H2,1-3H3,(H2,34,41)
InChIKeyYEWGDTCILKSJAA-UHFFFAOYSA-N
MW568.08 g/mol
LogP4.92
Rot. Bonds5

About 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide

2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide (PubChem CID 90671588) has the molecular formula C31H30ClN7O2 and a molecular weight of 568.08 g/mol. Its IUPAC name is 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide
PubChem CID90671588
Molecular FormulaC31H30ClN7O2
Molecular Weight568.08 g/mol
Exact Mass567.21
IUPAC Name2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(-n2ccnc2)c1C1C(C(N)=O)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C31H30ClN7O2/c1-18-24(30(37-14-13-35-17-37)39(36-18)21-7-5-4-6-8-21)26-25-22(15-31(2,3)16-23(25)40)38(28(33)27(26)29(34)41)20-11-9-19(32)10-12-20/h4-14,17,26H,15-16,33H2,1-3H3,(H2,34,41)
InChIKeyYEWGDTCILKSJAA-UHFFFAOYSA-N
XLogP4.92
TPSA125.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.08
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide with MolForge

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Related Compounds

(9R,13S)-13-[4-(5-chloro-2-imidazol-1-ylphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 166631570
2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1-(p-tolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 90671583
2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1-(p-tolyl)-6,8-dihydro-4H-quinoline-3-carboxamide
CID 90671585
2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 90671586
ethyl 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate
CID 90671587
2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 90671592
ethyl 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxylate
CID 90671593
2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenyl-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxamide
CID 90671594
4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 74712349
4-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxamide
CID 74712810
4-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 4178730
5-(4-Chlorophenyl)-6-[4-(4-methylimidazol-1-yl)phenyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 57897941

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
The IUPAC name of 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide (CID 90671588) is 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
The canonical SMILES for 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide is Cc1nn(-c2ccccc2)c(-n2ccnc2)c1C1C(C(N)=O)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
The InChIKey is YEWGDTCILKSJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClN7O2/c1-18-24(30(37-14-13-35-17-37)39(36-18)21-7-5-4-6-8-21)26-25-22(15-31(2,3)16-23(25)40)38(28(33)27(26)29(34)41)20-11-9-19(32)10-12-20/h4-14,17,26H,15-16,33H2,1-3H3,(H2,34,41).
What are the key properties of 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?
2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide has a molecular weight of 568.08 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chlorophenyl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide is sourced from PubChem (CID 90671588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).