3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one

C21H26N4O2 — CID 167990048

IUPAC3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one
SMILESO=C(C1CC2(CCNCC2)C1)N1CCC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C21H26N4O2/c26-19(15-11-21(12-15)6-8-22-9-7-21)24-10-5-16(13-24)25-14-23-18-4-2-1-3-17(18)20(25)27/h1-4,14-16,22H,5-13H2
InChIKeyFFNRALLPJIWKLP-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.95
Rot. Bonds2

About 3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one

3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one (PubChem CID 167990048) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one
PubChem CID167990048
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one
SMILESO=C(C1CC2(CCNCC2)C1)N1CCC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C21H26N4O2/c26-19(15-11-21(12-15)6-8-22-9-7-21)24-10-5-16(13-24)25-14-23-18-4-2-1-3-17(18)20(25)27/h1-4,14-16,22H,5-13H2
InChIKeyFFNRALLPJIWKLP-UHFFFAOYSA-N
XLogP1.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate
CID 154847151
3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 124510058
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
CID 138009536
3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one
CID 121193436
3-cyclobutylquinazolin-4-one
CID 171781936
3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one
CID 121021700
3-[1-[1-[2-(dimethylamino)ethyl]triazole-4-carbonyl]azetidin-3-yl]quinazolin-4-one
CID 166260055
3-pyrrolidin-2-ylquinazolin-4-one
CID 117263616
3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159971
[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 121193758
3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide
CID 154873668

Frequently Asked Questions

What is the IUPAC name of 3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one?
The IUPAC name of 3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one (CID 167990048) is 3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one.
What is the SMILES notation for 3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one?
The canonical SMILES for 3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one is O=C(C1CC2(CCNCC2)C1)N1CCC(n2cnc3ccccc3c2=O)C1.
What is the InChIKey of 3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one?
The InChIKey is FFNRALLPJIWKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-19(15-11-21(12-15)6-8-22-9-7-21)24-10-5-16(13-24)25-14-23-18-4-2-1-3-17(18)20(25)27/h1-4,14-16,22H,5-13H2.
What are the key properties of 3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one?
3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one has a molecular weight of 366.47 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one is sourced from PubChem (CID 167990048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).