(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H17ClN2O — CID 115540697

IUPAC(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C17H17ClN2O/c1-11-9-12-5-2-3-8-15(12)20(10-11)17(21)13-6-4-7-14(18)16(13)19/h2-8,11H,9-10,19H2,1H3
InChIKeyYYZRQNYJJOWEGL-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.76
Rot. Bonds1

About (2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 115540697) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID115540697
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C17H17ClN2O/c1-11-9-12-5-2-3-8-15(12)20(10-11)17(21)13-6-4-7-14(18)16(13)19/h2-8,11H,9-10,19H2,1H3
InChIKeyYYZRQNYJJOWEGL-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63499391
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 114918498
(2-amino-5-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107075293
(2-hydrazinyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63483138
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065
(2-amino-1,3-thiazol-4-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63522293
[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 95598699
(4-amino-1-methylpyrazol-3-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65355538
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862190
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
[4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81235104

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 115540697) is (2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1Cc2ccccc2N(C(=O)c2cccc(Cl)c2N)C1.
What is the InChIKey of (2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is YYZRQNYJJOWEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-9-12-5-2-3-8-15(12)20(10-11)17(21)13-6-4-7-14(18)16(13)19/h2-8,11H,9-10,19H2,1H3.
What are the key properties of (2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 300.79 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 115540697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).