N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide

C16H18ClN3O — CID 79378143

IUPACN-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)C2CCNC2C)c2cccnc12
InChIInChI=1S/C16H18ClN3O/c1-9-8-13(17)15(12-4-3-6-19-14(9)12)20-16(21)11-5-7-18-10(11)2/h3-4,6,8,10-11,18H,5,7H2,1-2H3,(H,20,21)
InChIKeyLTTNDPQNGVRMDG-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.13
Rot. Bonds2

About N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide

N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79378143) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79378143
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)C2CCNC2C)c2cccnc12
InChIInChI=1S/C16H18ClN3O/c1-9-8-13(17)15(12-4-3-6-19-14(9)12)20-16(21)11-5-7-18-10(11)2/h3-4,6,8,10-11,18H,5,7H2,1-2H3,(H,20,21)
InChIKeyLTTNDPQNGVRMDG-UHFFFAOYSA-N
XLogP3.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 79388659
2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 79382496
N-(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388665
1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 95774160
N-(6-chloro-8-methylquinolin-5-yl)-2-ethoxyacetamide
CID 60779334
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
6-chloro-N-cyclohexyl-8-methylquinolin-5-amine
CID 43674648
N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 107599756
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 79024943
2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid
CID 61329018
N-(6-chloro-8-methylquinolin-5-yl)-1,3-thiazole-4-carboxamide
CID 63047841
2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 55126113

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide (CID 79378143) is N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide is Cc1cc(Cl)c(NC(=O)C2CCNC2C)c2cccnc12.
What is the InChIKey of N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is LTTNDPQNGVRMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-9-8-13(17)15(12-4-3-6-19-14(9)12)20-16(21)11-5-7-18-10(11)2/h3-4,6,8,10-11,18H,5,7H2,1-2H3,(H,20,21).
What are the key properties of N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide?
N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79378143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).