(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C16H15ClN2O — CID 79745583

IUPAC(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESNc1cc(Cl)ccc1C(=O)C1CCCc2cccnc21
InChIInChI=1S/C16H15ClN2O/c17-11-6-7-12(14(18)9-11)16(20)13-5-1-3-10-4-2-8-19-15(10)13/h2,4,6-9,13H,1,3,5,18H2
InChIKeyRZOBVGMTCDWTTO-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.62
Rot. Bonds2

About (2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 79745583) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID79745583
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESNc1cc(Cl)ccc1C(=O)C1CCCc2cccnc21
InChIInChI=1S/C16H15ClN2O/c17-11-6-7-12(14(18)9-11)16(20)13-5-1-3-10-4-2-8-19-15(10)13/h2,4,6-9,13H,1,3,5,18H2
InChIKeyRZOBVGMTCDWTTO-UHFFFAOYSA-N
XLogP3.62
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116547254
(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782129
(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745963
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746341
(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782285
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763
(5-chloro-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783739
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 79745583) is (2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is Nc1cc(Cl)ccc1C(=O)C1CCCc2cccnc21.
What is the InChIKey of (2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is RZOBVGMTCDWTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-11-6-7-12(14(18)9-11)16(20)13-5-1-3-10-4-2-8-19-15(10)13/h2,4,6-9,13H,1,3,5,18H2.
What are the key properties of (2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 286.76 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 79745583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).