4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile

C24H24N4O — CID 126949716

IUPAC4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)cc1
InChIInChI=1S/C24H24N4O/c25-14-17-7-9-18(10-8-17)15-27-13-3-6-22(27)23-26-21-5-2-1-4-20(21)24(29)28(23)16-19-11-12-19/h1-2,4-5,7-10,19,22H,3,6,11-13,15-16H2
InChIKeyCMIXMJAWXADCKQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.02
Rot. Bonds5

About 4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile

4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile (PubChem CID 126949716) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile
PubChem CID126949716
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)cc1
InChIInChI=1S/C24H24N4O/c25-14-17-7-9-18(10-8-17)15-27-13-3-6-22(27)23-26-21-5-2-1-4-20(21)24(29)28(23)16-19-11-12-19/h1-2,4-5,7-10,19,22H,3,6,11-13,15-16H2
InChIKeyCMIXMJAWXADCKQ-UHFFFAOYSA-N
XLogP4.02
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

3-(cyclopropylmethyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949720
3-(cyclopropylmethyl)-2-[1-(1,4-dioxepan-6-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949821
3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949759
3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949766
4-(1-benzylpyrrolidin-2-yl)benzonitrile
CID 164673724
3-methyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949462
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949702
3-(cyclopropylmethyl)-2-[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949849
2-[1-[(2-cyclopropylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950554
3-(2-hydroxyethyl)-2-[1-[(1-methyl-6-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950898
3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949508

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile (CID 126949716) is 4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)cc1.
What is the InChIKey of 4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile?
The InChIKey is CMIXMJAWXADCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c25-14-17-7-9-18(10-8-17)15-27-13-3-6-22(27)23-26-21-5-2-1-4-20(21)24(29)28(23)16-19-11-12-19/h1-2,4-5,7-10,19,22H,3,6,11-13,15-16H2.
What are the key properties of 4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile?
4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile has a molecular weight of 384.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 126949716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).