6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one

C23H26N4O4 — CID 124802468

IUPAC6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one
SMILESCOc1cc2nc(C)n(CC(=O)N3CCCC[C@@H]3c3cccnc3)c(=O)c2cc1OC
InChIInChI=1S/C23H26N4O4/c1-15-25-18-12-21(31-3)20(30-2)11-17(18)23(29)27(15)14-22(28)26-10-5-4-8-19(26)16-7-6-9-24-13-16/h6-7,9,11-13,19H,4-5,8,10,14H2,1-3H3/t19-/m1/s1
InChIKeyMPQIUTHIMAPEEY-LJQANCHMSA-N
MW422.49 g/mol
LogP2.87
Rot. Bonds5

About 6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one

6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one (PubChem CID 124802468) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one
PubChem CID124802468
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one
SMILESCOc1cc2nc(C)n(CC(=O)N3CCCC[C@@H]3c3cccnc3)c(=O)c2cc1OC
InChIInChI=1S/C23H26N4O4/c1-15-25-18-12-21(31-3)20(30-2)11-17(18)23(29)27(15)14-22(28)26-10-5-4-8-19(26)16-7-6-9-24-13-16/h6-7,9,11-13,19H,4-5,8,10,14H2,1-3H3/t19-/m1/s1
InChIKeyMPQIUTHIMAPEEY-LJQANCHMSA-N
XLogP2.87
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7,8-dimethoxy-2-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]phthalazin-1-one
CID 162864521
7,8-dimethoxy-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1H-3-benzazepin-2-one
CID 124803702
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one
CID 97150651
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
CID 162891653
3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 129354842
1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one
CID 125299164
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propan-1-one
CID 124835282

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one (CID 124802468) is 6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one is COc1cc2nc(C)n(CC(=O)N3CCCC[C@@H]3c3cccnc3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one?
The InChIKey is MPQIUTHIMAPEEY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-15-25-18-12-21(31-3)20(30-2)11-17(18)23(29)27(15)14-22(28)26-10-5-4-8-19(26)16-7-6-9-24-13-16/h6-7,9,11-13,19H,4-5,8,10,14H2,1-3H3/t19-/m1/s1.
What are the key properties of 6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one?
6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one has a molecular weight of 422.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 124802468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).