3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one

C23H27N5O2 — CID 126949766

IUPAC3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1cc(=O)n(CCN2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)cn1
InChIInChI=1S/C23H27N5O2/c1-16-13-21(29)27(15-24-16)12-11-26-10-4-7-20(26)22-25-19-6-3-2-5-18(19)23(30)28(22)14-17-8-9-17/h2-3,5-6,13,15,17,20H,4,7-12,14H2,1H3
InChIKeyZQPRRRDJCJBHOE-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.51
Rot. Bonds6

About 3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one

3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949766) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949766
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1cc(=O)n(CCN2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)cn1
InChIInChI=1S/C23H27N5O2/c1-16-13-21(29)27(15-24-16)12-11-26-10-4-7-20(26)22-25-19-6-3-2-5-18(19)23(30)28(22)14-17-8-9-17/h2-3,5-6,13,15,17,20H,4,7-12,14H2,1H3
InChIKeyZQPRRRDJCJBHOE-UHFFFAOYSA-N
XLogP2.51
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one with MolForge

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Related Compounds

3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949759
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-(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
4-[[2-[3-(cyclopropylmethyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 126949716
3-(2-methoxyethyl)-2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951333
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 71875556
3-(2,2-difluoroethyl)-2-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950322
4-[2-[2-[4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-2-yl]pyrrolidin-1-yl]ethyl]morpholin-3-one
CID 126950630
2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950671

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126949766) is 3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one is Cc1cc(=O)n(CCN2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)cn1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is ZQPRRRDJCJBHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-13-21(29)27(15-24-16)12-11-26-10-4-7-20(26)22-25-19-6-3-2-5-18(19)23(30)28(22)14-17-8-9-17/h2-3,5-6,13,15,17,20H,4,7-12,14H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one?
3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 405.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).