2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one

C21H19N5O2 — CID 71231715

IUPAC2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2c1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C21H19N5O2/c27-20-17-5-1-2-6-18(17)26-14-15(12-19(26)23-20)21(28)25-10-8-24(9-11-25)16-4-3-7-22-13-16/h1-7,12-14H,8-11H2,(H,23,27)
InChIKeyYJUJSBZOBOROFG-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.14
Rot. Bonds2

About 2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one

2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one (PubChem CID 71231715) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
PubChem CID71231715
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2c1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C21H19N5O2/c27-20-17-5-1-2-6-18(17)26-14-15(12-19(26)23-20)21(28)25-10-8-24(9-11-25)16-4-3-7-22-13-16/h1-7,12-14H,8-11H2,(H,23,27)
InChIKeyYJUJSBZOBOROFG-UHFFFAOYSA-N
XLogP2.14
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231712
2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231713
5-oxo-4H-pyrrolo[1,2-a]quinazoline-2-carboxylic acid
CID 71231586
2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231689
2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231606
1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 77082727
3-(4-pyridin-4-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 56810086
6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1H-quinolin-2-one
CID 13317106
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900
[4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802927
2-chloro-1-(4-pyridin-3-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 167917546

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of 2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one (CID 71231715) is 2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one is O=C(c1cc2[nH]c(=O)c3ccccc3n2c1)N1CCN(c2cccnc2)CC1.
What is the InChIKey of 2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is YJUJSBZOBOROFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-20-17-5-1-2-6-18(17)26-14-15(12-19(26)23-20)21(28)25-10-8-24(9-11-25)16-4-3-7-22-13-16/h1-7,12-14H,8-11H2,(H,23,27).
What are the key properties of 2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 373.42 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 71231715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).