6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

C44H40N6O4 — CID 157495520

IUPAC6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cccnc3)ccc21.COc1cncc(-c2ccc3c(c2)CCC(=O)N3)c1.O=C1CCc2cc(-c3cccnc3)ccc2N1
InChIInChI=1S/C15H14N2O2.C15H14N2O.C14H12N2O/c1-19-13-7-12(8-16-9-13)10-2-4-14-11(6-10)3-5-15(18)17-14;1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18;17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h2,4,6-9H,3,5H2,1H3,(H,17,18);2-4,6,8-10H,5,7H2,1H3;1-3,5,7-9H,4,6H2,(H,16,17)
InChIKeyBXUCQKBZEXSISZ-UHFFFAOYSA-N
MW716.84 g/mol
LogP7.93
Rot. Bonds4

About 6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 157495520) has the molecular formula C44H40N6O4 and a molecular weight of 716.84 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID157495520
Molecular FormulaC44H40N6O4
Molecular Weight716.84 g/mol
Exact Mass716.31
IUPAC Name6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cccnc3)ccc21.COc1cncc(-c2ccc3c(c2)CCC(=O)N3)c1.O=C1CCc2cc(-c3cccnc3)ccc2N1
InChIInChI=1S/C15H14N2O2.C15H14N2O.C14H12N2O/c1-19-13-7-12(8-16-9-13)10-2-4-14-11(6-10)3-5-15(18)17-14;1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18;17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h2,4,6-9H,3,5H2,1H3,(H,17,18);2-4,6,8-10H,5,7H2,1H3;1-3,5,7-9H,4,6H2,(H,16,17)
InChIKeyBXUCQKBZEXSISZ-UHFFFAOYSA-N
XLogP7.93
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquinolin-2(1H)-one
CID 25180503
7-(5-Methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 44479392
6-(5-Methoxypyridin-3-yl)-3,4-dihydroquinolin-2(1H)-one
CID 25180298
8-methoxy-6-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one
CID 13728868
9-[5-(2-Fluoroethoxy)-3-pyridinyl]-2,3,6,7-tetrahydro-1h,5h-benzo[ij]quinolizin-5-one
CID 90254692
N-(1-benzylpiperidin-4-yl)-4-[4-[(1-benzylpiperidin-4-yl)carbamoyl]anilino]-8-methoxyquinoline-3-carboxamide
CID 9939772
N-[1-[6-(Diethylamino)-6-oxohexyl]-4-piperidinyl]-8-methoxy-4-[[4-[[[1-(phenylmethyl)-4-piperidinyl]amino]carbonyl]-phenyl]amino]-3-quinolinecarboxamide
CID 19918421
N-(1-Butyl-4-piperidinyl)-8-methoxy-4-[[4-[[[1-(phenylmethyl)-4-piperidinyl]amino]carbonyl]phenyl]amino]-3-quinolinecarboxamide
CID 19918423
N-[1-[(3-Methoxyphenyl)methyl]-4-piperidinyl]-8-methoxy-4-[[4-[[[1-(phenylmethyl)-4-piperidinyl]amino]carbonyl]phenyl]amino]-3-quinoline-carboxamide
CID 19918426
N-[1-(2-Phenylethyl)-4-piperidinyl]-8-methoxy-4-[[4-[[[1-(phenylmethyl)-4piperidinyl]amino]carbonyl]phenyl]amino]-3-quinolinecarboxamide
CID 21850076
N-(2-Methoxy-5-methylphenyl)-4-[(1R,3AS,10AR,10BS)-2-(3-pyridinylmethyl)decahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]butanamide
CID 110875499
3-(2-Methoxyphenyl)-N-[(pyridin-4-YL)methyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4AH,5H,6H-pyrazino[1,2-A]quinoline-5-carboxamide
CID 45956206

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (CID 157495520) is 6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is CN1C(=O)CCc2cc(-c3cccnc3)ccc21.COc1cncc(-c2ccc3c(c2)CCC(=O)N3)c1.O=C1CCc2cc(-c3cccnc3)ccc2N1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BXUCQKBZEXSISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.C15H14N2O.C14H12N2O/c1-19-13-7-12(8-16-9-13)10-2-4-14-11(6-10)3-5-15(18)17-14;1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18;17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h2,4,6-9H,3,5H2,1H3,(H,17,18);2-4,6,8-10H,5,7H2,1H3;1-3,5,7-9H,4,6H2,(H,16,17).
What are the key properties of 6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 716.84 g/mol, XLogP of 7.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 157495520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).