3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone

C18H19NO2 — CID 51229053

IUPAC3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCc3ccccc32)ccc1C
InChIInChI=1S/C18H19NO2/c1-13-9-10-15(12-17(13)21-2)18(20)19-11-5-7-14-6-3-4-8-16(14)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyAHNAZFSOAOCSMS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.60
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone (PubChem CID 51229053) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
PubChem CID51229053
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCc3ccccc32)ccc1C
InChIInChI=1S/C18H19NO2/c1-13-9-10-15(12-17(13)21-2)18(20)19-11-5-7-14-6-3-4-8-16(14)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyAHNAZFSOAOCSMS-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 43823652
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253
(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81393898

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone (CID 51229053) is 3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CCCc3ccccc32)ccc1C.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is AHNAZFSOAOCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-9-10-15(12-17(13)21-2)18(20)19-11-5-7-14-6-3-4-8-16(14)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 51229053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).