2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one

C15H20N4O — CID 136968778

IUPAC2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
SMILESCC(N)C1CCN(Cc2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C15H20N4O/c1-10(16)11-6-7-19(8-11)9-14-17-13-5-3-2-4-12(13)15(20)18-14/h2-5,10-11H,6-9,16H2,1H3,(H,17,18,20)
InChIKeyZPQUCOJMBPMYIZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.09
Rot. Bonds3

About 2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one

2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one (PubChem CID 136968778) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
PubChem CID136968778
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
SMILESCC(N)C1CCN(Cc2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C15H20N4O/c1-10(16)11-6-7-19(8-11)9-14-17-13-5-3-2-4-12(13)15(20)18-14/h2-5,10-11H,6-9,16H2,1H3,(H,17,18,20)
InChIKeyZPQUCOJMBPMYIZ-UHFFFAOYSA-N
XLogP1.09
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
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-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136755534
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
2-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136563572
6-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136741996
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135930616
N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137147916
2-(2-methylpentyl)-3H-quinazolin-4-one
CID 136798516

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one (CID 136968778) is 2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one is CC(N)C1CCN(Cc2nc3ccccc3c(=O)[nH]2)C1.
What is the InChIKey of 2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is ZPQUCOJMBPMYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(16)11-6-7-19(8-11)9-14-17-13-5-3-2-4-12(13)15(20)18-14/h2-5,10-11H,6-9,16H2,1H3,(H,17,18,20).
What are the key properties of 2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one?
2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 272.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136968778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).