N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

C29H29N3O3S — CID 42420384

IUPACN-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc3cc4c(cc3cc2CN(C(=O)c2csc(C)n2)C2CC2)CCC4)c1OC
InChIInChI=1S/C29H29N3O3S/c1-17-30-25(16-36-17)29(33)32(22-10-11-22)15-21-13-20-12-18-6-4-7-19(18)14-24(20)31-27(21)23-8-5-9-26(34-2)28(23)35-3/h5,8-9,12-14,16,22H,4,6-7,10-11,15H2,1-3H3
InChIKeySFZZXPWWYLSFNU-UHFFFAOYSA-N
MW499.64 g/mol
LogP5.98
Rot. Bonds7

About N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 42420384) has the molecular formula C29H29N3O3S and a molecular weight of 499.64 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID42420384
Molecular FormulaC29H29N3O3S
Molecular Weight499.64 g/mol
Exact Mass499.19
IUPAC NameN-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc3cc4c(cc3cc2CN(C(=O)c2csc(C)n2)C2CC2)CCC4)c1OC
InChIInChI=1S/C29H29N3O3S/c1-17-30-25(16-36-17)29(33)32(22-10-11-22)15-21-13-20-12-18-6-4-7-19(18)14-24(20)31-27(21)23-8-5-9-26(34-2)28(23)35-3/h5,8-9,12-14,16,22H,4,6-7,10-11,15H2,1-3H3
InChIKeySFZZXPWWYLSFNU-UHFFFAOYSA-N
XLogP5.98
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.64
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 131941918
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42420994
2,3-dimethoxy-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125173420
2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 46550031
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide
CID 26342096
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide
CID 42417365
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
CID 65199839
N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide
CID 26332608
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42451188
N-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 102684996
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
CID 42328264
N-cyclopropyl-3-fluoro-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzamide
CID 46006525

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 42420384) is N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is COc1cccc(-c2nc3cc4c(cc3cc2CN(C(=O)c2csc(C)n2)C2CC2)CCC4)c1OC.
What is the InChIKey of N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is SFZZXPWWYLSFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3S/c1-17-30-25(16-36-17)29(33)32(22-10-11-22)15-21-13-20-12-18-6-4-7-19(18)14-24(20)31-27(21)23-8-5-9-26(34-2)28(23)35-3/h5,8-9,12-14,16,22H,4,6-7,10-11,15H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 499.64 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42420384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).