6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one

C13H14N4O2 — CID 168660692

IUPAC6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESNCC1CC(=O)N(c2ccc3nc[nH]c(=O)c3c2)C1
InChIInChI=1S/C13H14N4O2/c14-5-8-3-12(18)17(6-8)9-1-2-11-10(4-9)13(19)16-7-15-11/h1-2,4,7-8H,3,5-6,14H2,(H,15,16,19)
InChIKeyCYTIJBGXLOIKSR-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.23
Rot. Bonds2

About 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one

6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one (PubChem CID 168660692) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one
PubChem CID168660692
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESNCC1CC(=O)N(c2ccc3nc[nH]c(=O)c3c2)C1
InChIInChI=1S/C13H14N4O2/c14-5-8-3-12(18)17(6-8)9-1-2-11-10(4-9)13(19)16-7-15-11/h1-2,4,7-8H,3,5-6,14H2,(H,15,16,19)
InChIKeyCYTIJBGXLOIKSR-UHFFFAOYSA-N
XLogP0.23
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677047
5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide
CID 168718778
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661169
4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 83543998
[1-(3H-benzimidazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677060
4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
CID 168660099
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one
CID 168660701
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
CID 168660659
1-(3H-benzimidazol-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709953
4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168661209
1-(2H-benzotriazol-5-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505547

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one (CID 168660692) is 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one is NCC1CC(=O)N(c2ccc3nc[nH]c(=O)c3c2)C1.
What is the InChIKey of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one?
The InChIKey is CYTIJBGXLOIKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-5-8-3-12(18)17(6-8)9-1-2-11-10(4-9)13(19)16-7-15-11/h1-2,4,7-8H,3,5-6,14H2,(H,15,16,19).
What are the key properties of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one?
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one has a molecular weight of 258.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 168660692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).