5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide

C24H28N6O3 — CID 176964897

IUPAC5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCc1ccc2nc(C3COCC(N4CCN(c5ccc(C(N)=O)nc5)CC4)C3)[nH]c(=O)c2c1
InChIInChI=1S/C24H28N6O3/c1-15-2-4-20-19(10-15)24(32)28-23(27-20)16-11-18(14-33-13-16)30-8-6-29(7-9-30)17-3-5-21(22(25)31)26-12-17/h2-5,10,12,16,18H,6-9,11,13-14H2,1H3,(H2,25,31)(H,27,28,32)
InChIKeyZEEXMZGNCRQSHT-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.42
Rot. Bonds4

About 5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide

5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 176964897) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID176964897
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCc1ccc2nc(C3COCC(N4CCN(c5ccc(C(N)=O)nc5)CC4)C3)[nH]c(=O)c2c1
InChIInChI=1S/C24H28N6O3/c1-15-2-4-20-19(10-15)24(32)28-23(27-20)16-11-18(14-33-13-16)30-8-6-29(7-9-30)17-3-5-21(22(25)31)26-12-17/h2-5,10,12,16,18H,6-9,11,13-14H2,1H3,(H2,25,31)(H,27,28,32)
InChIKeyZEEXMZGNCRQSHT-UHFFFAOYSA-N
XLogP1.42
TPSA117.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964948
5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964834
N-(2,2-difluoroethyl)-5-[4-[(1R,3R)-3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964978
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
5-[4-[(1S,3R)-3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964801
5-[4-[3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148805
5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560553
5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560627
2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
CID 137298702
2-[(1R,3S)-3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]cyclopentyl]-6-fluoro-3H-quinazolin-4-one
CID 176964970
N-methyl-5-[4-[(1R,3R)-3-(5-oxo-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-7-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964547
2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide (CID 176964897) is 5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide is Cc1ccc2nc(C3COCC(N4CCN(c5ccc(C(N)=O)nc5)CC4)C3)[nH]c(=O)c2c1.
What is the InChIKey of 5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is ZEEXMZGNCRQSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-15-2-4-20-19(10-15)24(32)28-23(27-20)16-11-18(14-33-13-16)30-8-6-29(7-9-30)17-3-5-21(22(25)31)26-12-17/h2-5,10,12,16,18H,6-9,11,13-14H2,1H3,(H2,25,31)(H,27,28,32).
What are the key properties of 5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxan-3-yl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176964897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).