2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one

C15H17N3O4 — CID 137248565

IUPAC2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one
SMILESC[C@@]1(O)CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H]1O
InChIInChI=1S/C15H17N3O4/c1-15(22)6-7-18(8-11(15)19)14(21)12-16-10-5-3-2-4-9(10)13(20)17-12/h2-5,11,19,22H,6-8H2,1H3,(H,16,17,20)/t11-,15-/m1/s1
InChIKeyWYKXKBBIESMWGE-IAQYHMDHSA-N
MW303.32 g/mol
LogP-0.12
Rot. Bonds1

About 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one

2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one (PubChem CID 137248565) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one
PubChem CID137248565
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one
SMILESC[C@@]1(O)CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H]1O
InChIInChI=1S/C15H17N3O4/c1-15(22)6-7-18(8-11(15)19)14(21)12-16-10-5-3-2-4-9(10)13(20)17-12/h2-5,11,19,22H,6-8H2,1H3,(H,16,17,20)/t11-,15-/m1/s1
InChIKeyWYKXKBBIESMWGE-IAQYHMDHSA-N
XLogP-0.12
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
CID 136911292
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl)-3H-quinazolin-4-one
CID 136930387
(9aS)-8-methyl-2-(4-oxo-3H-quinazoline-2-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 136697837
1-[(3R,4S)-4-hydroxy-1-(4-oxo-3H-quinazoline-2-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 137293752
(3-chloro-1H-indol-2-yl)-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72929030
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135885511
2-[(3S)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-quinazolin-4-one
CID 136743347
8a-ethyl-7-(4-oxo-3H-quinazoline-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146046870
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
2-benzylsulfanyl-5-[(3S,4S)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 72882145

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one (CID 137248565) is 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one is C[C@@]1(O)CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H]1O.
What is the InChIKey of 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one?
The InChIKey is WYKXKBBIESMWGE-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-15(22)6-7-18(8-11(15)19)14(21)12-16-10-5-3-2-4-9(10)13(20)17-12/h2-5,11,19,22H,6-8H2,1H3,(H,16,17,20)/t11-,15-/m1/s1.
What are the key properties of 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one?
2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one has a molecular weight of 303.32 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137248565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).