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

C26H24N4O2 — CID 55360146

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H24N4O2/c31-24(29-25(18-8-2-1-3-9-18)22-12-6-7-17-27-22)16-15-23-28-21-11-5-4-10-20(21)26(32)30(23)19-13-14-19/h1-12,17,19,25H,13-16H2,(H,29,31)
InChIKeyYGISHZKRLMHWGJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.96
Rot. Bonds7

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

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide (PubChem CID 55360146) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
PubChem CID55360146
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H24N4O2/c31-24(29-25(18-8-2-1-3-9-18)22-12-6-7-17-27-22)16-15-23-28-21-11-5-4-10-20(21)26(32)30(23)19-13-14-19/h1-12,17,19,25H,13-16H2,(H,29,31)
InChIKeyYGISHZKRLMHWGJ-UHFFFAOYSA-N
XLogP3.96
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433139
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009414
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
CID 56547700
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55515218
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55382643
N-[4-(2-chlorophenoxy)phenyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanamide
CID 55453569
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466640
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55358331

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide (CID 55360146) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide is O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The InChIKey is YGISHZKRLMHWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-24(29-25(18-8-2-1-3-9-18)22-12-6-7-17-27-22)16-15-23-28-21-11-5-4-10-20(21)26(32)30(23)19-13-14-19/h1-12,17,19,25H,13-16H2,(H,29,31).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide has a molecular weight of 424.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide is sourced from PubChem (CID 55360146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).