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

C17H17ClN2O — CID 106862190

IUPAC(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(N)Cc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-11-6-7-14(15(18)8-11)17(21)20-10-13(19)9-12-4-2-3-5-16(12)20/h2-8,13H,9-10,19H2,1H3
InChIKeyCUKXFRDTXDEBPZ-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.18
Rot. Bonds1

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

(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone (PubChem CID 106862190) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone
PubChem CID106862190
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(N)Cc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-11-6-7-14(15(18)8-11)17(21)20-10-13(19)9-12-4-2-3-5-16(12)20/h2-8,13H,9-10,19H2,1H3
InChIKeyCUKXFRDTXDEBPZ-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 104772854
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672090
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753653
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 167937529
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone
CID 106855124
(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115540697
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone
CID 103514183
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103021502
(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 114918498
2-[1-(2-chloro-4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 106860599
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864

Frequently Asked Questions

What is the IUPAC name of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone?
The IUPAC name of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone (CID 106862190) is (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone?
The canonical SMILES for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CC(N)Cc3ccccc32)c(Cl)c1.
What is the InChIKey of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone?
The InChIKey is CUKXFRDTXDEBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-6-7-14(15(18)8-11)17(21)20-10-13(19)9-12-4-2-3-5-16(12)20/h2-8,13H,9-10,19H2,1H3.
What are the key properties of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone?
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone has a molecular weight of 300.79 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 106862190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).