1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C15H13ClN2O3 — CID 115449917

IUPAC1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C15H13ClN2O3/c16-10-7-12(18-11-4-2-1-3-9(10)11)13(19)17-8-15(5-6-15)14(20)21/h1-4,7H,5-6,8H2,(H,17,19)(H,20,21)
InChIKeyZOSORGOYCIEZRT-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.48
Rot. Bonds4

About 1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449917) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449917
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C15H13ClN2O3/c16-10-7-12(18-11-4-2-1-3-9(10)11)13(19)17-8-15(5-6-15)14(20)21/h1-4,7H,5-6,8H2,(H,17,19)(H,20,21)
InChIKeyZOSORGOYCIEZRT-UHFFFAOYSA-N
XLogP2.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165272
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
CID 113465028
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide
CID 63375727
1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449424
4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide
CID 63483680
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115449917) is 1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZOSORGOYCIEZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-10-7-12(18-11-4-2-1-3-9(10)11)13(19)17-8-15(5-6-15)14(20)21/h1-4,7H,5-6,8H2,(H,17,19)(H,20,21).
What are the key properties of 1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 304.73 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).