3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one

C20H18N2O2 — CID 30131761

IUPAC3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one
SMILESCn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2ccccc21
InChIInChI=1S/C20H18N2O2/c1-21-13-17(19(23)16-8-4-5-9-18(16)21)20(24)22-11-10-14-6-2-3-7-15(14)12-22/h2-9,13H,10-12H2,1H3
InChIKeyQXHRGCKVXCATKK-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.74
Rot. Bonds1

About 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one

3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one (PubChem CID 30131761) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one
PubChem CID30131761
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one
SMILESCn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2ccccc21
InChIInChI=1S/C20H18N2O2/c1-21-13-17(19(23)16-8-4-5-9-18(16)21)20(24)22-11-10-14-6-2-3-7-15(14)12-22/h2-9,13H,10-12H2,1H3
InChIKeyQXHRGCKVXCATKK-UHFFFAOYSA-N
XLogP2.74
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(2-chlorophenyl)-(3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone
CID 53140299
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 43811695
3-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carbonyl]-1-methylquinolin-4-one
CID 91840033
3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one
CID 25449184
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 71778344
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
(4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43642494
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
2-(1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
CID 70512999
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol
CID 143161512

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one (CID 30131761) is 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one is Cn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one?
The InChIKey is QXHRGCKVXCATKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-21-13-17(19(23)16-8-4-5-9-18(16)21)20(24)22-11-10-14-6-2-3-7-15(14)12-22/h2-9,13H,10-12H2,1H3.
What are the key properties of 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one?
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one has a molecular weight of 318.38 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one is sourced from PubChem (CID 30131761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).