(5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H22N2O — CID 120630754

IUPAC(5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C)c2c(c1)N(C(=O)c1cc(N)ccc1C)CCC2
InChIInChI=1S/C19H22N2O/c1-12-9-14(3)16-5-4-8-21(18(16)10-12)19(22)17-11-15(20)7-6-13(17)2/h6-7,9-11H,4-5,8,20H2,1-3H3
InChIKeyNSCWBZCTKKOQOW-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.79
Rot. Bonds1

About (5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 120630754) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID120630754
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C)c2c(c1)N(C(=O)c1cc(N)ccc1C)CCC2
InChIInChI=1S/C19H22N2O/c1-12-9-14(3)16-5-4-8-21(18(16)10-12)19(22)17-11-15(20)7-6-13(17)2/h6-7,9-11H,4-5,8,20H2,1-3H3
InChIKeyNSCWBZCTKKOQOW-UHFFFAOYSA-N
XLogP3.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 120630754) is (5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc(C)c2c(c1)N(C(=O)c1cc(N)ccc1C)CCC2.
What is the InChIKey of (5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is NSCWBZCTKKOQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-12-9-14(3)16-5-4-8-21(18(16)10-12)19(22)17-11-15(20)7-6-13(17)2/h6-7,9-11H,4-5,8,20H2,1-3H3.
What are the key properties of (5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 120630754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).