3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one

C23H28N6O2 — CID 121374269

IUPAC3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one
SMILESCC(=O)N1CCc2ncnc(N3CCC(CN4Cc5ccccc5NC4=O)CC3)c2C1
InChIInChI=1S/C23H28N6O2/c1-16(30)28-11-8-21-19(14-28)22(25-15-24-21)27-9-6-17(7-10-27)12-29-13-18-4-2-3-5-20(18)26-23(29)31/h2-5,15,17H,6-14H2,1H3,(H,26,31)
InChIKeyASTBVLMWBBPOLX-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.65
Rot. Bonds3

About 3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one

3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one (PubChem CID 121374269) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one
PubChem CID121374269
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one
SMILESCC(=O)N1CCc2ncnc(N3CCC(CN4Cc5ccccc5NC4=O)CC3)c2C1
InChIInChI=1S/C23H28N6O2/c1-16(30)28-11-8-21-19(14-28)22(25-15-24-21)27-9-6-17(7-10-27)12-29-13-18-4-2-3-5-20(18)26-23(29)31/h2-5,15,17H,6-14H2,1H3,(H,26,31)
InChIKeyASTBVLMWBBPOLX-UHFFFAOYSA-N
XLogP2.65
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanone
CID 171996345
[1-[6-(4-phenylbenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-yl]methyl cyclopropanecarboxylate
CID 53374555
3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945001
ethyl 1-[6-[4-(2-chlorophenyl)benzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 53374756
6-methyl-2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864179
2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864167
3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one
CID 97169092
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]ethanone
CID 171994060
1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56861041
2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992968
6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136693506
6-tert-butyl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862576

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one (CID 121374269) is 3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one is CC(=O)N1CCc2ncnc(N3CCC(CN4Cc5ccccc5NC4=O)CC3)c2C1.
What is the InChIKey of 3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one?
The InChIKey is ASTBVLMWBBPOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16(30)28-11-8-21-19(14-28)22(25-15-24-21)27-9-6-17(7-10-27)12-29-13-18-4-2-3-5-20(18)26-23(29)31/h2-5,15,17H,6-14H2,1H3,(H,26,31).
What are the key properties of 3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one?
3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one has a molecular weight of 420.52 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 121374269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).