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

C22H19N5O2 — CID 138543038

IUPAC2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
SMILESO=C(c1ccc2cccnc2c1)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C22H19N5O2/c28-20-17-5-1-2-6-18(17)24-22(25-20)27-12-10-26(11-13-27)21(29)16-8-7-15-4-3-9-23-19(15)14-16/h1-9,14H,10-13H2,(H,24,25,28)
InChIKeyZSZICJFCJARBHF-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.43
Rot. Bonds2

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

2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one (PubChem CID 138543038) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
PubChem CID138543038
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
SMILESO=C(c1ccc2cccnc2c1)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C22H19N5O2/c28-20-17-5-1-2-6-18(17)24-22(25-20)27-12-10-26(11-13-27)21(29)16-8-7-15-4-3-9-23-19(15)14-16/h1-9,14H,10-13H2,(H,24,25,28)
InChIKeyZSZICJFCJARBHF-UHFFFAOYSA-N
XLogP2.43
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543152
2-[4-[7-(4-fluorophenyl)quinoline-3-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 166688154
2-[4-[1-(4-fluorophenyl)benzimidazole-5-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543629
2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138542994
2-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543043
2-[4-[3-(3,5-difluorophenyl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543156
2-[4-[2-(2,2,2-trifluoroethyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543554
2-[4-(3-tert-butyl-5-chlorobenzoyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543136
2-[4-[3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543072
2-[4-[4-(2-cyclopropyl-4H-imidazol-5-yl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 159431795
(4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone
CID 162199187
2-[4-[4-[3-(1-fluoro-1-phosphanylethyl)phenoxy]benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 142555409

Frequently Asked Questions

What is the IUPAC name of 2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one (CID 138543038) is 2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one is O=C(c1ccc2cccnc2c1)N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one?
The InChIKey is ZSZICJFCJARBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-20-17-5-1-2-6-18(17)24-22(25-20)27-12-10-26(11-13-27)21(29)16-8-7-15-4-3-9-23-19(15)14-16/h1-9,14H,10-13H2,(H,24,25,28).
What are the key properties of 2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one?
2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one has a molecular weight of 385.43 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 138543038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).