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

C17H17NO — CID 669077

IUPAC3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C17H17NO/c1-13-6-4-8-15(12-13)17(19)18-11-5-9-14-7-2-3-10-16(14)18/h2-4,6-8,10,12H,5,9,11H2,1H3
InChIKeyPHLRPARNRZNBQR-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.59
Rot. Bonds1

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

3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone (PubChem CID 669077) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
PubChem CID669077
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C17H17NO/c1-13-6-4-8-15(12-13)17(19)18-11-5-9-14-7-2-3-10-16(14)18/h2-4,6-8,10,12H,5,9,11H2,1H3
InChIKeyPHLRPARNRZNBQR-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
CID 113006321
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane
CID 143489580
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109055995
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide
CID 109046889
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone (CID 669077) is 3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone?
The InChIKey is PHLRPARNRZNBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-6-4-8-15(12-13)17(19)18-11-5-9-14-7-2-3-10-16(14)18/h2-4,6-8,10,12H,5,9,11H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone has a molecular weight of 251.33 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone is sourced from PubChem (CID 669077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).