(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone

C16H11ClN2O — CID 116552296

IUPAC(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone
SMILESNc1cc(C(=O)c2cccc3cccnc23)ccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-13-7-6-11(9-14(13)18)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9H,18H2
InChIKeyDGPLXROTUHROPA-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.70
Rot. Bonds2

About (3-amino-4-chlorophenyl)-quinolin-8-ylmethanone

(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone (PubChem CID 116552296) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone
PubChem CID116552296
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone
SMILESNc1cc(C(=O)c2cccc3cccnc23)ccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-13-7-6-11(9-14(13)18)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9H,18H2
InChIKeyDGPLXROTUHROPA-UHFFFAOYSA-N
XLogP3.70
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.70
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

1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone
CID 115608476
(2,4-dichlorophenyl)-quinolin-8-ylmethanone
CID 115604879
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
CID 82863638
2-chloro-5-quinolin-8-ylaniline
CID 81224974
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
(5-chlorofuran-2-yl)-quinolin-8-ylmethanone
CID 106691206
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
CID 105102618
(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
CID 81220410
2-chloroaniline;quinolin-8-ol
CID 70504979

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-quinolin-8-ylmethanone?
The IUPAC name of (3-amino-4-chlorophenyl)-quinolin-8-ylmethanone (CID 116552296) is (3-amino-4-chlorophenyl)-quinolin-8-ylmethanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-quinolin-8-ylmethanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-quinolin-8-ylmethanone is Nc1cc(C(=O)c2cccc3cccnc23)ccc1Cl.
What is the InChIKey of (3-amino-4-chlorophenyl)-quinolin-8-ylmethanone?
The InChIKey is DGPLXROTUHROPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-7-6-11(9-14(13)18)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9H,18H2.
What are the key properties of (3-amino-4-chlorophenyl)-quinolin-8-ylmethanone?
(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone has a molecular weight of 282.73 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chlorophenyl)-quinolin-8-ylmethanone is sourced from PubChem (CID 116552296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).