2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one

C18H17N5O2 — CID 135877794

IUPAC2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
SMILESO=C(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H17N5O2/c24-17-13-5-1-2-6-14(13)20-16(21-17)18(25)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2,(H,20,21,24)
InChIKeyCTDBPSHKGMXFAZ-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.28
Rot. Bonds2

About 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one

2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one (PubChem CID 135877794) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
PubChem CID135877794
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
SMILESO=C(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H17N5O2/c24-17-13-5-1-2-6-14(13)20-16(21-17)18(25)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2,(H,20,21,24)
InChIKeyCTDBPSHKGMXFAZ-UHFFFAOYSA-N
XLogP1.28
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135885511
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
2-(4-phenylpiperazine-1-carbonyl)-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 154890246
2-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135895971
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 154888668
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231712
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 110854947
(9aS)-8-methyl-2-(4-oxo-3H-quinazoline-2-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 136697837

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one (CID 135877794) is 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one is O=C(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
The InChIKey is CTDBPSHKGMXFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17-13-5-1-2-6-14(13)20-16(21-17)18(25)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2,(H,20,21,24).
What are the key properties of 2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one has a molecular weight of 335.37 g/mol, XLogP of 1.28, 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)-3H-quinazolin-4-one is sourced from PubChem (CID 135877794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).