(2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide

C16H18ClN3O — CID 95299069

IUPAC(2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H18ClN3O/c1-18-16(21)14-5-3-9-20(14)10-11-6-7-13(17)12-4-2-8-19-15(11)12/h2,4,6-8,14H,3,5,9-10H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyLZRIWBIPPPVTTJ-AWEZNQCLSA-N
MW303.79 g/mol
LogP2.60
Rot. Bonds3

About (2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide

(2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 95299069) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID95299069
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H18ClN3O/c1-18-16(21)14-5-3-9-20(14)10-11-6-7-13(17)12-4-2-8-19-15(11)12/h2,4,6-8,14H,3,5,9-10H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyLZRIWBIPPPVTTJ-AWEZNQCLSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115960560
4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid
CID 115960550
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605
1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985656
(2S,4S)-1-[(5-chloroquinolin-8-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979983
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55827715
1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354702
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 115960548
1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104513621
N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86860831
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 95299069) is (2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)c2cccnc12.
What is the InChIKey of (2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is LZRIWBIPPPVTTJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-18-16(21)14-5-3-9-20(14)10-11-6-7-13(17)12-4-2-8-19-15(11)12/h2,4,6-8,14H,3,5,9-10H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95299069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).