[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone

C25H26N2O3 — CID 3843727

IUPAC[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESCOc1ccc(NC2CC(C)N(C(=O)c3ccccc3)c3ccc(OC)cc32)cc1
InChIInChI=1S/C25H26N2O3/c1-17-15-23(26-19-9-11-20(29-2)12-10-19)22-16-21(30-3)13-14-24(22)27(17)25(28)18-7-5-4-6-8-18/h4-14,16-17,23,26H,15H2,1-3H3
InChIKeyIAVRDEASBJAPMB-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.30
Rot. Bonds5

About [6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone

[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (PubChem CID 3843727) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
PubChem CID3843727
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESCOc1ccc(NC2CC(C)N(C(=O)c3ccccc3)c3ccc(OC)cc32)cc1
InChIInChI=1S/C25H26N2O3/c1-17-15-23(26-19-9-11-20(29-2)12-10-19)22-16-21(30-3)13-14-24(22)27(17)25(28)18-7-5-4-6-8-18/h4-14,16-17,23,26H,15H2,1-3H3
InChIKeyIAVRDEASBJAPMB-UHFFFAOYSA-N
XLogP5.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Launch Full Analysis

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
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 584780
[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 118870735
(4-methoxyphenyl)-[(2S,4R)-2-methyl-4-(pyridin-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 68923504
[(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-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-bromophenyl)methanone
CID 2843974
(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 23889651
[4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 59987557
[(2R,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
CID 171984662
N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
CID 21092854

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The IUPAC name of [6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (CID 3843727) is [6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.
What is the SMILES notation for [6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The canonical SMILES for [6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is COc1ccc(NC2CC(C)N(C(=O)c3ccccc3)c3ccc(OC)cc32)cc1.
What is the InChIKey of [6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The InChIKey is IAVRDEASBJAPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17-15-23(26-19-9-11-20(29-2)12-10-19)22-16-21(30-3)13-14-24(22)27(17)25(28)18-7-5-4-6-8-18/h4-14,16-17,23,26H,15H2,1-3H3.
What are the key properties of [6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone has a molecular weight of 402.49 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is sourced from PubChem (CID 3843727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).