(7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone

C17H15ClN2O2 — CID 54298287

IUPAC(7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(N=O)c2ccc(Cl)cc21
InChIInChI=1S/C17H15ClN2O2/c1-11-4-2-3-5-13(11)17(21)20-9-8-15(19-22)14-7-6-12(18)10-16(14)20/h2-7,10,15H,8-9H2,1H3
InChIKeySCIGYUFCQVGDTR-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.51
Rot. Bonds2

About (7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone

(7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone (PubChem CID 54298287) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
PubChem CID54298287
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(N=O)c2ccc(Cl)cc21
InChIInChI=1S/C17H15ClN2O2/c1-11-4-2-3-5-13(11)17(21)20-9-8-15(19-22)14-7-6-12(18)10-16(14)20/h2-7,10,15H,8-9H2,1H3
InChIKeySCIGYUFCQVGDTR-UHFFFAOYSA-N
XLogP4.51
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4E)-7-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylphenyl)methanone
CID 15020410
[(E)-[7-chloro-1-(2-methylbenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate
CID 6338015
N-[4-(7-chloro-4,5-dihydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
CID 131667982
N-[4-[(2R,5S)-12-chloro-3-oxa-8-azatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-8-carbonyl]-3-methylphenyl]-2-methylbenzamide
CID 171725244
disodium;2-[7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]butanedioate
CID 67043177
N-[4-[7-chloro-5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
CID 70065419
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
1-(6-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)octan-1-one
CID 54005015
(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636338
(6-chloro-1-sulfanylidene-3,4-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone
CID 10734153
N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide
CID 57135530
2-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-5-[(2-methylbenzoyl)amino]benzoic acid
CID 142567447

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone?
The IUPAC name of (7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone (CID 54298287) is (7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCC(N=O)c2ccc(Cl)cc21.
What is the InChIKey of (7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone?
The InChIKey is SCIGYUFCQVGDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-4-2-3-5-13(11)17(21)20-9-8-15(19-22)14-7-6-12(18)10-16(14)20/h2-7,10,15H,8-9H2,1H3.
What are the key properties of (7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone?
(7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone has a molecular weight of 314.77 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 54298287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).