3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one

C21H24N4O2 — CID 52975382

IUPAC3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2NNCC2C2Nc3ccccc3C(=O)N2C2CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-15-10-6-13(7-11-15)19-17(12-22-24-19)20-23-18-5-3-2-4-16(18)21(26)25(20)14-8-9-14/h2-7,10-11,14,17,19-20,22-24H,8-9,12H2,1H3
InChIKeyFQWOABKXGGGIAC-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.52
Rot. Bonds4

About 3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one

3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 52975382) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
PubChem CID52975382
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2NNCC2C2Nc3ccccc3C(=O)N2C2CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-15-10-6-13(7-11-15)19-17(12-22-24-19)20-23-18-5-3-2-4-16(18)21(26)25(20)14-8-9-14/h2-7,10-11,14,17,19-20,22-24H,8-9,12H2,1H3
InChIKeyFQWOABKXGGGIAC-UHFFFAOYSA-N
XLogP2.52
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
CID 9008726
(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568
2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 143147910
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
(2R)-3-cyclopropyl-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008911
2-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10107074
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1219427
(2R)-2-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 686642
3-(furan-2-ylmethyl)-2-[3-(5-methylfuran-2-yl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one
CID 52975693
methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate
CID 784677

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one (CID 52975382) is 3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one is COc1ccc(C2NNCC2C2Nc3ccccc3C(=O)N2C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
The InChIKey is FQWOABKXGGGIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-15-10-6-13(7-11-15)19-17(12-22-24-19)20-23-18-5-3-2-4-16(18)21(26)25(20)14-8-9-14/h2-7,10-11,14,17,19-20,22-24H,8-9,12H2,1H3.
What are the key properties of 3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one?
3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 364.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 52975382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).