N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C19H17ClN2O — CID 4060631

IUPACN-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1ccc(Cl)cc1Nc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H17ClN2O/c1-23-18-10-9-12(20)11-17(18)22-19-13-5-2-3-7-15(13)21-16-8-4-6-14(16)19/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,21,22)
InChIKeySTBAPNSQSBFTJI-UHFFFAOYSA-N
MW324.81 g/mol
LogP5.13
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 4060631) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID4060631
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1ccc(Cl)cc1Nc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H17ClN2O/c1-23-18-10-9-12(20)11-17(18)22-19-13-5-2-3-7-15(13)21-16-8-4-6-14(16)19/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,21,22)
InChIKeySTBAPNSQSBFTJI-UHFFFAOYSA-N
XLogP5.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 720949
6-chloro-N-(2-methoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20859019
N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
CID 2790059
6-chloro-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20859027
7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 15993644
7-chloro-N-(2-methylphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20858370
N-(5-chloro-2-methoxyphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728823
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 3658778
N-(2-methoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110435268
N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
CID 53465072
N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 122199173
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432395

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 4060631) is N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is COc1ccc(Cl)cc1Nc1c2c(nc3ccccc13)CCC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is STBAPNSQSBFTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-23-18-10-9-12(20)11-17(18)22-19-13-5-2-3-7-15(13)21-16-8-4-6-14(16)19/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 324.81 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 4060631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).