3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid

C16H16ClNO2 — CID 82451847

IUPAC3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
SMILESCc1cc(Cl)cc2c(CCC(=O)O)c3c(nc12)CCC3
InChIInChI=1S/C16H16ClNO2/c1-9-7-10(17)8-13-11(5-6-15(19)20)12-3-2-4-14(12)18-16(9)13/h7-8H,2-6H2,1H3,(H,19,20)
InChIKeyLESWULYOTLURSG-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.70
Rot. Bonds3

About 3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid

3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid (PubChem CID 82451847) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
PubChem CID82451847
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
SMILESCc1cc(Cl)cc2c(CCC(=O)O)c3c(nc12)CCC3
InChIInChI=1S/C16H16ClNO2/c1-9-7-10(17)8-13-11(5-6-15(19)20)12-3-2-4-14(12)18-16(9)13/h7-8H,2-6H2,1H3,(H,19,20)
InChIKeyLESWULYOTLURSG-UHFFFAOYSA-N
XLogP3.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82451226
7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 82451849
2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile
CID 82451782
2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid
CID 82451803
3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82450866
3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82452010
(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 63482072
N-[(5,7-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]propan-2-amine
CID 82451593
7-chloro-5-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63480982
2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451651
5,7-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202722
3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propanoic acid
CID 105494737

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid?
The IUPAC name of 3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid (CID 82451847) is 3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid.
What is the SMILES notation for 3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid?
The canonical SMILES for 3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid is Cc1cc(Cl)cc2c(CCC(=O)O)c3c(nc12)CCC3.
What is the InChIKey of 3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid?
The InChIKey is LESWULYOTLURSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-9-7-10(17)8-13-11(5-6-15(19)20)12-3-2-4-14(12)18-16(9)13/h7-8H,2-6H2,1H3,(H,19,20).
What are the key properties of 3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid?
3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid has a molecular weight of 289.76 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid is sourced from PubChem (CID 82451847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).