(2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol

C13H12ClNO — CID 70704147

IUPAC(2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol
SMILESOCc1cc2cc3c(cc2nc1Cl)CCC3
InChIInChI=1S/C13H12ClNO/c14-13-11(7-16)5-10-4-8-2-1-3-9(8)6-12(10)15-13/h4-6,16H,1-3,7H2
InChIKeyFWWFJRZQTHQGBF-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.87
Rot. Bonds1

About (2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol

(2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol (PubChem CID 70704147) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is (2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol
PubChem CID70704147
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name(2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol
SMILESOCc1cc2cc3c(cc2nc1Cl)CCC3
InChIInChI=1S/C13H12ClNO/c14-13-11(7-16)5-10-4-8-2-1-3-9(8)6-12(10)15-13/h4-6,16H,1-3,7H2
InChIKeyFWWFJRZQTHQGBF-UHFFFAOYSA-N
XLogP2.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol?
The IUPAC name of (2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol (CID 70704147) is (2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol.
What is the SMILES notation for (2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol?
The canonical SMILES for (2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol is OCc1cc2cc3c(cc2nc1Cl)CCC3.
What is the InChIKey of (2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol?
The InChIKey is FWWFJRZQTHQGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-13-11(7-16)5-10-4-8-2-1-3-9(8)6-12(10)15-13/h4-6,16H,1-3,7H2.
What are the key properties of (2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol?
(2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol has a molecular weight of 233.70 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methanol is sourced from PubChem (CID 70704147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).