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

C21H19N5O2 — CID 71231712

IUPAC2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H19N5O2/c27-20-16-5-1-2-6-17(16)26-14-15(13-19(26)23-20)21(28)25-11-9-24(10-12-25)18-7-3-4-8-22-18/h1-8,13-14H,9-12H2,(H,23,27)
InChIKeyFHGGMKZPJLJKSL-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.14
Rot. Bonds2

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

2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one (PubChem CID 71231712) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
PubChem CID71231712
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H19N5O2/c27-20-16-5-1-2-6-17(16)26-14-15(13-19(26)23-20)21(28)25-11-9-24(10-12-25)18-7-3-4-8-22-18/h1-8,13-14H,9-12H2,(H,23,27)
InChIKeyFHGGMKZPJLJKSL-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-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231715
2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231606
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 110854947
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 51054862
[2-(2,6-dimethylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174568
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110414643

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one (CID 71231712) is 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one is O=C(c1cc2[nH]c(=O)c3ccccc3n2c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is FHGGMKZPJLJKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-20-16-5-1-2-6-17(16)26-14-15(13-19(26)23-20)21(28)25-11-9-24(10-12-25)18-7-3-4-8-22-18/h1-8,13-14H,9-12H2,(H,23,27).
What are the key properties of 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one?
2-(4-pyridin-2-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-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 71231712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).