3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one

C18H24N4O2 — CID 124692808

IUPAC3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESC[C@H](N)[C@H]1CCCCN1C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H24N4O2/c1-13(19)16-8-4-5-10-22(16)17(23)9-11-21-12-20-15-7-3-2-6-14(15)18(21)24/h2-3,6-7,12-13,16H,4-5,8-11,19H2,1H3/t13-,16+/m0/s1
InChIKeyWQXQLHYAEHCKTL-XJKSGUPXSA-N
MW328.42 g/mol
LogP1.51
Rot. Bonds4

About 3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one

3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 124692808) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID124692808
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESC[C@H](N)[C@H]1CCCCN1C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C18H24N4O2/c1-13(19)16-8-4-5-10-22(16)17(23)9-11-21-12-20-15-7-3-2-6-14(15)18(21)24/h2-3,6-7,12-13,16H,4-5,8-11,19H2,1H3/t13-,16+/m0/s1
InChIKeyWQXQLHYAEHCKTL-XJKSGUPXSA-N
XLogP1.51
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
3-amino-N-[[1-[3-(4-oxoquinazolin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579742
8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one
CID 95585347
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-6-bromoquinazolin-4-one;hydrochloride
CID 119435473
3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 42893868
[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 96523727
1-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 124569451
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457
3-[4-oxo-4-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]butyl]quinazolin-4-one
CID 95132057

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one (CID 124692808) is 3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one is C[C@H](N)[C@H]1CCCCN1C(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is WQXQLHYAEHCKTL-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(19)16-8-4-5-10-22(16)17(23)9-11-21-12-20-15-7-3-2-6-14(15)18(21)24/h2-3,6-7,12-13,16H,4-5,8-11,19H2,1H3/t13-,16+/m0/s1.
What are the key properties of 3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 328.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 124692808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).