N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide

C20H28N4O2 — CID 52516514

IUPACN-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC1CCN([C@H](C)CNC(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H28N4O2/c1-15-7-10-23(11-8-15)16(2)13-21-19(25)9-12-24-14-22-18-6-4-3-5-17(18)20(24)26/h3-6,14-16H,7-13H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyGQRXYIXHARGGDK-MRXNPFEDSA-N
MW356.47 g/mol
LogP2.02
Rot. Bonds6

About N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 52516514) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID52516514
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC1CCN([C@H](C)CNC(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H28N4O2/c1-15-7-10-23(11-8-15)16(2)13-21-19(25)9-12-24-14-22-18-6-4-3-5-17(18)20(24)26/h3-6,14-16H,7-13H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyGQRXYIXHARGGDK-MRXNPFEDSA-N
XLogP2.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 60551759
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide
CID 55658756
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 51095654
[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33359762
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 111480037
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 100906249
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 52516514) is N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide is CC1CCN([C@H](C)CNC(=O)CCn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is GQRXYIXHARGGDK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-7-10-23(11-8-15)16(2)13-21-19(25)9-12-24-14-22-18-6-4-3-5-17(18)20(24)26/h3-6,14-16H,7-13H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 52516514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).