2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one

C18H23N3O — CID 135447986

IUPAC2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCCC2)nc2ccc(N3CCCC3)cc12
InChIInChI=1S/C18H23N3O/c22-18-15-12-14(21-10-4-5-11-21)8-9-16(15)19-17(20-18)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,20,22)
InChIKeyPTMMTDJMNYUZRA-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.57
Rot. Bonds2

About 2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one

2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one (PubChem CID 135447986) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
PubChem CID135447986
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCCC2)nc2ccc(N3CCCC3)cc12
InChIInChI=1S/C18H23N3O/c22-18-15-12-14(21-10-4-5-11-21)8-9-16(15)19-17(20-18)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,20,22)
InChIKeyPTMMTDJMNYUZRA-UHFFFAOYSA-N
XLogP3.57
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-6-fluoro-3H-quinazolin-4-one
CID 137190164
4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile
CID 142062413
2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole
CID 95473984
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
CID 137298702
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 158662772
4-cyclopentyl-15-[(3R)-3-methoxypyrrolidin-1-yl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 24888042
2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one
CID 140904912
2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136617658
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
4-[4-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]piperidin-1-yl]benzonitrile
CID 169148872

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one?
The IUPAC name of 2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one (CID 135447986) is 2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one is O=c1[nH]c(C2CCCCC2)nc2ccc(N3CCCC3)cc12.
What is the InChIKey of 2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one?
The InChIKey is PTMMTDJMNYUZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18-15-12-14(21-10-4-5-11-21)8-9-16(15)19-17(20-18)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,20,22).
What are the key properties of 2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one?
2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one has a molecular weight of 297.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135447986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).