7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide

C15H16ClN3O — CID 138050895

IUPAC7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
SMILESCN(C(=O)c1ccnc2cc(Cl)ccc12)C1CCNC1
InChIInChI=1S/C15H16ClN3O/c1-19(11-4-6-17-9-11)15(20)13-5-7-18-14-8-10(16)2-3-12(13)14/h2-3,5,7-8,11,17H,4,6,9H2,1H3
InChIKeyOFDSLYBQRJRSBQ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.32
Rot. Bonds2

About 7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide

7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide (PubChem CID 138050895) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
PubChem CID138050895
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
SMILESCN(C(=O)c1ccnc2cc(Cl)ccc12)C1CCNC1
InChIInChI=1S/C15H16ClN3O/c1-19(11-4-6-17-9-11)15(20)13-5-7-18-14-8-10(16)2-3-12(13)14/h2-3,5,7-8,11,17H,4,6,9H2,1H3
InChIKeyOFDSLYBQRJRSBQ-UHFFFAOYSA-N
XLogP2.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119554680
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 119552969
5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550406
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119554410
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
CID 119552054
7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride
CID 119442428

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide (CID 138050895) is 7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide is CN(C(=O)c1ccnc2cc(Cl)ccc12)C1CCNC1.
What is the InChIKey of 7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide?
The InChIKey is OFDSLYBQRJRSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(11-4-6-17-9-11)15(20)13-5-7-18-14-8-10(16)2-3-12(13)14/h2-3,5,7-8,11,17H,4,6,9H2,1H3.
What are the key properties of 7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide?
7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 138050895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).