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

C15H13ClN2O3 — CID 81165272

IUPAC1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C15H13ClN2O3/c16-10-8-12(17-11-5-2-1-4-9(10)11)13(19)18-15(14(20)21)6-3-7-15/h1-2,4-5,8H,3,6-7H2,(H,18,19)(H,20,21)
InChIKeyROXDVRUDKHRCSL-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.63
Rot. Bonds3

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

1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81165272) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81165272
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C15H13ClN2O3/c16-10-8-12(17-11-5-2-1-4-9(10)11)13(19)18-15(14(20)21)6-3-7-15/h1-2,4-5,8H,3,6-7H2,(H,18,19)(H,20,21)
InChIKeyROXDVRUDKHRCSL-UHFFFAOYSA-N
XLogP2.63
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449917
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CID 22712404
4-[[4-(dimethylamino)quinoline-2-carbonyl]amino]thiane-4-carboxylic acid
CID 138029068
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide
CID 63483680
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 23132798
4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
CID 83017398
1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 58370152
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 112726709

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81165272) is 1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is ROXDVRUDKHRCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-10-8-12(17-11-5-2-1-4-9(10)11)13(19)18-15(14(20)21)6-3-7-15/h1-2,4-5,8H,3,6-7H2,(H,18,19)(H,20,21).
What are the key properties of 1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 304.73 g/mol, XLogP of 2.63, 3 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]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81165272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).