2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one

C20H26N6O2 — CID 138553993

IUPAC2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
SMILESO=C(N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1)N1CCC2(CCNC2)C1
InChIInChI=1S/C20H26N6O2/c27-17-15-3-1-2-4-16(15)22-18(23-17)24-9-11-25(12-10-24)19(28)26-8-6-20(14-26)5-7-21-13-20/h1-4,21H,5-14H2,(H,22,23,27)
InChIKeyIDHHSRGHRQFSNW-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.85
Rot. Bonds1

About 2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one

2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one (PubChem CID 138553993) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
PubChem CID138553993
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
SMILESO=C(N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1)N1CCC2(CCNC2)C1
InChIInChI=1S/C20H26N6O2/c27-17-15-3-1-2-4-16(15)22-18(23-17)24-9-11-25(12-10-24)19(28)26-8-6-20(14-26)5-7-21-13-20/h1-4,21H,5-14H2,(H,22,23,27)
InChIKeyIDHHSRGHRQFSNW-UHFFFAOYSA-N
XLogP0.85
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-phenylethanone
CID 82038242
(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205
2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543038
2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-[4-(3-tert-butyl-5-chlorobenzoyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543136
2-[4-[3-(3,5-difluorophenyl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543156
2-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543043
6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 146134599
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one (CID 138553993) is 2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one is O=C(N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1)N1CCC2(CCNC2)C1.
What is the InChIKey of 2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one?
The InChIKey is IDHHSRGHRQFSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-17-15-3-1-2-4-16(15)22-18(23-17)24-9-11-25(12-10-24)19(28)26-8-6-20(14-26)5-7-21-13-20/h1-4,21H,5-14H2,(H,22,23,27).
What are the key properties of 2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one?
2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one has a molecular weight of 382.47 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,7-diazaspiro[4.4]nonane-2-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 138553993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).