N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C20H20N2O — CID 110432395

IUPACN-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1ccc(CNc2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C20H20N2O/c1-23-15-11-9-14(10-12-15)13-21-20-16-5-2-3-7-18(16)22-19-8-4-6-17(19)20/h2-3,5,7,9-12H,4,6,8,13H2,1H3,(H,21,22)
InChIKeyLCRRRNLQVBDFNF-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.34
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 110432395) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID110432395
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1ccc(CNc2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C20H20N2O/c1-23-15-11-9-14(10-12-15)13-21-20-16-5-2-3-7-18(16)22-19-8-4-6-17(19)20/h2-3,5,7,9-12H,4,6,8,13H2,1H3,(H,21,22)
InChIKeyLCRRRNLQVBDFNF-UHFFFAOYSA-N
XLogP4.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 10710689
N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 122199173
N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 166636017
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide
CID 155666124
N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 175457647
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N-(3-ethoxypropyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432404
N-(2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 720949
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 110432395) is N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is COc1ccc(CNc2c3c(nc4ccccc24)CCC3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is LCRRRNLQVBDFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-23-15-11-9-14(10-12-15)13-21-20-16-5-2-3-7-18(16)22-19-8-4-6-17(19)20/h2-3,5,7,9-12H,4,6,8,13H2,1H3,(H,21,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 304.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 110432395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).