1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid

C16H17ClN2O2 — CID 61290273

IUPAC1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccnc3cc(Cl)ccc23)CCCCC1
InChIInChI=1S/C16H17ClN2O2/c17-11-4-5-12-13(6-9-18-14(12)10-11)19-16(15(20)21)7-2-1-3-8-16/h4-6,9-10H,1-3,7-8H2,(H,18,19)(H,20,21)
InChIKeyUOTSELIGYFSVLO-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.09
Rot. Bonds3

About 1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid

1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61290273) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID61290273
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccnc3cc(Cl)ccc23)CCCCC1
InChIInChI=1S/C16H17ClN2O2/c17-11-4-5-12-13(6-9-18-14(12)10-11)19-16(15(20)21)7-2-1-3-8-16/h4-6,9-10H,1-3,7-8H2,(H,18,19)(H,20,21)
InChIKeyUOTSELIGYFSVLO-UHFFFAOYSA-N
XLogP4.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-carbamoyl-5-chloroanilino)cycloheptane-1-carboxylic acid
CID 63082238
1-(5-chloro-2-cyanoanilino)cycloheptane-1-carboxylic acid
CID 63082412
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430042
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid
CID 64667465
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid
CID 55108001
1-(7-chloroquinolin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 104595813
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
CID 591300

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 61290273) is 1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1(Nc2ccnc3cc(Cl)ccc23)CCCCC1.
What is the InChIKey of 1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UOTSELIGYFSVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-11-4-5-12-13(6-9-18-14(12)10-11)19-16(15(20)21)7-2-1-3-8-16/h4-6,9-10H,1-3,7-8H2,(H,18,19)(H,20,21).
What are the key properties of 1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 304.78 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61290273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).