4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid

C16H19N3O4 — CID 175809486

IUPAC4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid
SMILESCOc1cc2nc(C)[nH]c(=O)c2cc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C16H19N3O4/c1-9-17-13-8-14(23-2)11(7-12(13)15(20)18-9)10-3-5-19(6-4-10)16(21)22/h7-8,10H,3-6H2,1-2H3,(H,21,22)(H,17,18,20)
InChIKeyYWFZBDXVVQQCJN-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.10
Rot. Bonds2

About 4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid

4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid (PubChem CID 175809486) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid
PubChem CID175809486
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid
SMILESCOc1cc2nc(C)[nH]c(=O)c2cc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C16H19N3O4/c1-9-17-13-8-14(23-2)11(7-12(13)15(20)18-9)10-3-5-19(6-4-10)16(21)22/h7-8,10H,3-6H2,1-2H3,(H,21,22)(H,17,18,20)
InChIKeyYWFZBDXVVQQCJN-UHFFFAOYSA-N
XLogP2.10
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid with MolForge

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Related Compounds

(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate
CID 167197487
tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate
CID 166066269
6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane
CID 158479470
7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
CID 167028862
4-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)piperidine-1-carboxylic acid
CID 174174048
7-methoxy-2-methyl-6-[(3R)-oxolan-3-yl]oxy-3H-quinazolin-4-one
CID 154704421
7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one
CID 171600544
2-methyl-6-(methylamino)-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
CID 142217590
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136673377
6-methoxy-2-methyl-7-(morpholin-2-ylmethyl)-3H-quinazolin-4-one
CID 175490030
6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
CID 135853225

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid (CID 175809486) is 4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid is COc1cc2nc(C)[nH]c(=O)c2cc1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid?
The InChIKey is YWFZBDXVVQQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9-17-13-8-14(23-2)11(7-12(13)15(20)18-9)10-3-5-19(6-4-10)16(21)22/h7-8,10H,3-6H2,1-2H3,(H,21,22)(H,17,18,20).
What are the key properties of 4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid?
4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 175809486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).