3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide

C23H26N4O2 — CID 46977564

IUPAC3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1cccc(N2CCCCC2)c1
InChIInChI=1S/C23H26N4O2/c28-22(11-14-27-17-25-21-10-3-2-9-20(21)23(27)29)24-16-18-7-6-8-19(15-18)26-12-4-1-5-13-26/h2-3,6-10,15,17H,1,4-5,11-14,16H2,(H,24,28)
InChIKeyMEDDFCYQCJAULI-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.09
Rot. Bonds6

About 3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide

3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide (PubChem CID 46977564) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
PubChem CID46977564
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1cccc(N2CCCCC2)c1
InChIInChI=1S/C23H26N4O2/c28-22(11-14-27-17-25-21-10-3-2-9-20(21)23(27)29)24-16-18-7-6-8-19(15-18)26-12-4-1-5-13-26/h2-3,6-10,15,17H,1,4-5,11-14,16H2,(H,24,28)
InChIKeyMEDDFCYQCJAULI-UHFFFAOYSA-N
XLogP3.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46976685
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 36758177
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122254609
3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 72719244
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122294971
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 122356666
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide (CID 46977564) is 3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide is O=C(CCn1cnc2ccccc2c1=O)NCc1cccc(N2CCCCC2)c1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide?
The InChIKey is MEDDFCYQCJAULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(11-14-27-17-25-21-10-3-2-9-20(21)23(27)29)24-16-18-7-6-8-19(15-18)26-12-4-1-5-13-26/h2-3,6-10,15,17H,1,4-5,11-14,16H2,(H,24,28).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide?
3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide has a molecular weight of 390.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 46977564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).