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

C17H18N2O — CID 19607756

IUPAC(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-12-10-11-19(16-5-3-2-4-15(12)16)17(20)13-6-8-14(18)9-7-13/h2-9,12H,10-11,18H2,1H3
InChIKeyUDYAJBGZFFIBPV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.42
Rot. Bonds1

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

(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 19607756) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID19607756
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-12-10-11-19(16-5-3-2-4-15(12)16)17(20)13-6-8-14(18)9-7-13/h2-9,12H,10-11,18H2,1H3
InChIKeyUDYAJBGZFFIBPV-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.42
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

N-[3-(4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide
CID 110746231
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide
CID 95580409
(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709472
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
(4-aminophenyl)-(4-cyclohexyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methanone
CID 19608040
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412
2-(ethylamino)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 113266315
[4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110741415
(3-methylsulfonylphenyl)-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 75504716

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 19607756) is (4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCN(C(=O)c2ccc(N)cc2)c2ccccc21.
What is the InChIKey of (4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is UDYAJBGZFFIBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-10-11-19(16-5-3-2-4-15(12)16)17(20)13-6-8-14(18)9-7-13/h2-9,12H,10-11,18H2,1H3.
What are the key properties of (4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 19607756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).