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

C18H17N3O2 — CID 7294898

IUPACN-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-3-17(22)20-13-8-10-14(11-9-13)21-12(2)19-16-7-5-4-6-15(16)18(21)23/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyKFZLRAZIGAYKDH-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.04
Rot. Bonds3

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

N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide (PubChem CID 7294898) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
PubChem CID7294898
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-3-17(22)20-13-8-10-14(11-9-13)21-12(2)19-16-7-5-4-6-15(16)18(21)23/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyKFZLRAZIGAYKDH-UHFFFAOYSA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 7294959
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7577823
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
CID 30368236
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 171649584
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The IUPAC name of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide (CID 7294898) is N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The InChIKey is KFZLRAZIGAYKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-17(22)20-13-8-10-14(11-9-13)21-12(2)19-16-7-5-4-6-15(16)18(21)23/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide has a molecular weight of 307.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide is sourced from PubChem (CID 7294898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).