2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one

C28H22FN5O2 — CID 166688154

IUPAC2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one
SMILESO=C(c1cnc2cc(-c3ccc(F)cc3)ccc2c1)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C28H22FN5O2/c29-22-9-7-18(8-10-22)19-5-6-20-15-21(17-30-25(20)16-19)27(36)33-11-13-34(14-12-33)28-31-24-4-2-1-3-23(24)26(35)32-28/h1-10,15-17H,11-14H2,(H,31,32,35)
InChIKeyAQYAZJQGQLQDJR-UHFFFAOYSA-N
MW479.52 g/mol
LogP4.24
Rot. Bonds3

About 2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one

2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one (PubChem CID 166688154) has the molecular formula C28H22FN5O2 and a molecular weight of 479.52 g/mol. Its IUPAC name is 2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one
PubChem CID166688154
Molecular FormulaC28H22FN5O2
Molecular Weight479.52 g/mol
Exact Mass479.18
IUPAC Name2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one
SMILESO=C(c1cnc2cc(-c3ccc(F)cc3)ccc2c1)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C28H22FN5O2/c29-22-9-7-18(8-10-22)19-5-6-20-15-21(17-30-25(20)16-19)27(36)33-11-13-34(14-12-33)28-31-24-4-2-1-3-23(24)26(35)32-28/h1-10,15-17H,11-14H2,(H,31,32,35)
InChIKeyAQYAZJQGQLQDJR-UHFFFAOYSA-N
XLogP4.24
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(3,5-difluorophenyl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543156
2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543038
2-[4-[1-(4-fluorophenyl)benzimidazole-5-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543629
2-[4-(3-tert-butyl-5-chlorobenzoyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543136
2-[4-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543152
2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138542994
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
2-[4-[4-(2-cyclopropyl-4H-imidazol-5-yl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 159431795
6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 146134599
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 44565640
2-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543043
2-[4-[2-(2,2,2-trifluoroethyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543554

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one (CID 166688154) is 2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one is O=C(c1cnc2cc(-c3ccc(F)cc3)ccc2c1)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one?
The InChIKey is AQYAZJQGQLQDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O2/c29-22-9-7-18(8-10-22)19-5-6-20-15-21(17-30-25(20)16-19)27(36)33-11-13-34(14-12-33)28-31-24-4-2-1-3-23(24)26(35)32-28/h1-10,15-17H,11-14H2,(H,31,32,35).
What are the key properties of 2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one?
2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one has a molecular weight of 479.52 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 166688154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).