2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one

C13H15N3O — CID 135612889

IUPAC2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCCC2)nc2ccccc12
InChIInChI=1S/C13H15N3O/c17-13-10-5-1-2-6-11(10)14-12(15-13)9-16-7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,14,15,17)
InChIKeyQQEUAVYEHZXFIL-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.52
Rot. Bonds2

About 2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one

2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one (PubChem CID 135612889) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
PubChem CID135612889
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCCC2)nc2ccccc12
InChIInChI=1S/C13H15N3O/c17-13-10-5-1-2-6-11(10)14-12(15-13)9-16-7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,14,15,17)
InChIKeyQQEUAVYEHZXFIL-UHFFFAOYSA-N
XLogP1.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 136868764
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135620645
2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135809530
2-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]-3H-quinazolin-4-one
CID 137036640
2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3H-quinazolin-4-one
CID 135799534
2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135930616
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875147
2-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136563572
2-[[2-(azepan-1-ylmethyl)phenyl]methylamino]-3H-quinazolin-4-one
CID 137251073
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one (CID 135612889) is 2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one is O=c1[nH]c(CN2CCCC2)nc2ccccc12.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one?
The InChIKey is QQEUAVYEHZXFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13-10-5-1-2-6-11(10)14-12(15-13)9-16-7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,14,15,17).
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one?
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one has a molecular weight of 229.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135612889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).