5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine

C17H15ClN2O — CID 115466354

IUPAC5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine
SMILESClc1ccc(NC2CCCc3occc32)c2ncccc12
InChIInChI=1S/C17H15ClN2O/c18-13-6-7-15(17-11(13)3-2-9-19-17)20-14-4-1-5-16-12(14)8-10-21-16/h2-3,6-10,14,20H,1,4-5H2
InChIKeyZKCRVRPPJYYKJX-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.97
Rot. Bonds2

About 5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine

5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine (PubChem CID 115466354) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine
PubChem CID115466354
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine
SMILESClc1ccc(NC2CCCc3occc32)c2ncccc12
InChIInChI=1S/C17H15ClN2O/c18-13-6-7-15(17-11(13)3-2-9-19-17)20-14-4-1-5-16-12(14)8-10-21-16/h2-3,6-10,14,20H,1,4-5H2
InChIKeyZKCRVRPPJYYKJX-UHFFFAOYSA-N
XLogP4.97
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 142477796
N-(2-chloro-4,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466185
2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 60734553
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine
CID 60927459
N-(4-chloro-2-methoxy-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465900
N-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115564206
N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315138
N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315137
5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine
CID 64500044
N-[2-(trifluoromethylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466100
2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
CID 106954243
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine?
The IUPAC name of 5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine (CID 115466354) is 5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine?
The canonical SMILES for 5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine is Clc1ccc(NC2CCCc3occc32)c2ncccc12.
What is the InChIKey of 5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine?
The InChIKey is ZKCRVRPPJYYKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-13-6-7-15(17-11(13)3-2-9-19-17)20-14-4-1-5-16-12(14)8-10-21-16/h2-3,6-10,14,20H,1,4-5H2.
What are the key properties of 5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine?
5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine has a molecular weight of 298.77 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinolin-8-amine is sourced from PubChem (CID 115466354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).