2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C23H21N5O2 — CID 42945115

IUPAC2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccc2ccccc2n1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C23H21N5O2/c29-22-15-18(24-21-7-3-4-10-28(21)22)16-26-11-13-27(14-12-26)23(30)20-9-8-17-5-1-2-6-19(17)25-20/h1-10,15H,11-14,16H2
InChIKeyAYSNCBGWSWZFCO-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.20
Rot. Bonds3

About 2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42945115) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42945115
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccc2ccccc2n1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C23H21N5O2/c29-22-15-18(24-21-7-3-4-10-28(21)22)16-26-11-13-27(14-12-26)23(30)20-9-8-17-5-1-2-6-19(17)25-20/h1-10,15H,11-14,16H2
InChIKeyAYSNCBGWSWZFCO-UHFFFAOYSA-N
XLogP2.20
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 90571337
2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42897706
2-[[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42945200
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
1-[2-oxo-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 42945208
[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 46547011
quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 23045035
[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 9109587
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42949475
2-[[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97253121

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42945115) is 2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1ccc2ccccc2n1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AYSNCBGWSWZFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-22-15-18(24-21-7-3-4-10-28(21)22)16-26-11-13-27(14-12-26)23(30)20-9-8-17-5-1-2-6-19(17)25-20/h1-10,15H,11-14,16H2.
What are the key properties of 2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 399.45 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42945115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).