1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid

C16H17ClN2O2 — CID 115960548

IUPAC1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H17ClN2O2/c1-16(15(20)21)7-3-9-19(16)10-11-5-6-13(17)12-4-2-8-18-14(11)12/h2,4-6,8H,3,7,9-10H2,1H3,(H,20,21)
InChIKeyBFZZDUAIGJMMBP-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.33
Rot. Bonds3

About 1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid

1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 115960548) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID115960548
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H17ClN2O2/c1-16(15(20)21)7-3-9-19(16)10-11-5-6-13(17)12-4-2-8-18-14(11)12/h2,4-6,8H,3,7,9-10H2,1H3,(H,20,21)
InChIKeyBFZZDUAIGJMMBP-UHFFFAOYSA-N
XLogP3.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 66412215
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115960560
1-[(3-bromo-4-pyridinyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 136555618
(2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 95299069
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605
4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid
CID 115960550
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354702
1-[(2-fluoro-3-nitrophenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 107350130
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852938
2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55827715

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid (CID 115960548) is 1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1Cc1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is BFZZDUAIGJMMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-16(15(20)21)7-3-9-19(16)10-11-5-6-13(17)12-4-2-8-18-14(11)12/h2,4-6,8H,3,7,9-10H2,1H3,(H,20,21).
What are the key properties of 1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 304.78 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115960548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).