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

C24H24N2O2 — CID 584780

IUPAC(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2c3ccccc3C(Nc3ccccc3)CC2C)c1
InChIInChI=1S/C24H24N2O2/c1-17-15-22(25-19-10-4-3-5-11-19)21-13-6-7-14-23(21)26(17)24(27)18-9-8-12-20(16-18)28-2/h3-14,16-17,22,25H,15H2,1-2H3
InChIKeyCUOBWTUYPBFNMO-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.29
Rot. Bonds4

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

(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 584780) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
PubChem CID584780
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2c3ccccc3C(Nc3ccccc3)CC2C)c1
InChIInChI=1S/C24H24N2O2/c1-17-15-22(25-19-10-4-3-5-11-19)21-13-6-7-14-23(21)26(17)24(27)18-9-8-12-20(16-18)28-2/h3-14,16-17,22,25H,15H2,1-2H3
InChIKeyCUOBWTUYPBFNMO-UHFFFAOYSA-N
XLogP5.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 1102966
[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 3843727
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114765
[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114767
(4-methoxyphenyl)-[(2S,4R)-2-methyl-4-(pyridin-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 68923504
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-bromophenyl)methanone
CID 2843974
[4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 59987557
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-3-nitrophenyl)methanone
CID 3117899
[(2S,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone
CID 1048856
1-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 695224

Frequently Asked Questions

What is the IUPAC name of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone (CID 584780) is (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2c3ccccc3C(Nc3ccccc3)CC2C)c1.
What is the InChIKey of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is CUOBWTUYPBFNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-17-15-22(25-19-10-4-3-5-11-19)21-13-6-7-14-23(21)26(17)24(27)18-9-8-12-20(16-18)28-2/h3-14,16-17,22,25H,15H2,1-2H3.
What are the key properties of (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone?
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 372.47 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 584780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).