3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide

C23H20N4O3 — CID 72719244

IUPAC3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C23H20N4O3/c28-21(11-13-27-16-26-20-9-2-1-8-19(20)23(27)29)25-15-17-6-5-7-18(14-17)30-22-10-3-4-12-24-22/h1-10,12,14,16H,11,13,15H2,(H,25,28)
InChIKeyYGIGCCWCTPHIOM-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.29
Rot. Bonds7

About 3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide

3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide (PubChem CID 72719244) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
PubChem CID72719244
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C23H20N4O3/c28-21(11-13-27-16-26-20-9-2-1-8-19(20)23(27)29)25-15-17-6-5-7-18(14-17)30-22-10-3-4-12-24-22/h1-10,12,14,16H,11,13,15H2,(H,25,28)
InChIKeyYGIGCCWCTPHIOM-UHFFFAOYSA-N
XLogP3.29
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596320
3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596248
3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46977564
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596092
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
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 36758177
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 155916047
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(3-phenoxyphenyl)methyl]propanamide
CID 39576535

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide (CID 72719244) is 3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide is O=C(CCn1cnc2ccccc2c1=O)NCc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
The InChIKey is YGIGCCWCTPHIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-21(11-13-27-16-26-20-9-2-1-8-19(20)23(27)29)25-15-17-6-5-7-18(14-17)30-22-10-3-4-12-24-22/h1-10,12,14,16H,11,13,15H2,(H,25,28).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide?
3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide has a molecular weight of 400.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 72719244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).