1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide

C16H18ClN3O — CID 134032257

IUPAC1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H18ClN3O/c1-19(2)16(21)15-4-3-9-20(15)14-7-8-18-13-10-11(17)5-6-12(13)14/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyDVVFAGJIAYOWHY-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.95
Rot. Bonds2

About 1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 134032257) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID134032257
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H18ClN3O/c1-19(2)16(21)15-4-3-9-20(15)14-7-8-18-13-10-11(17)5-6-12(13)14/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyDVVFAGJIAYOWHY-UHFFFAOYSA-N
XLogP2.95
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331225
1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
CID 173119535
1-(4-chloro-2-nitrophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032255
1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 83065677
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
CID 104775264
(2S)-1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059764
1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058852
1-(7-aminoquinolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 103000781
1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine
CID 62588180
(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129352772
(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 93173237
1-(1-quinolin-4-ylpiperidin-2-yl)ethanone
CID 55258345

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 134032257) is 1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is DVVFAGJIAYOWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-19(2)16(21)15-4-3-9-20(15)14-7-8-18-13-10-11(17)5-6-12(13)14/h5-8,10,15H,3-4,9H2,1-2H3.
What are the key properties of 1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134032257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).