N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C18H17N3O2 — CID 800641

IUPACN-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-13-6-8-14(9-7-13)20-17(22)10-11-21-12-19-16-5-3-2-4-15(16)18(21)23/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyUWLROEZUPGJZEV-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.73
Rot. Bonds4

About N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 800641) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID800641
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-13-6-8-14(9-7-13)20-17(22)10-11-21-12-19-16-5-3-2-4-15(16)18(21)23/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyUWLROEZUPGJZEV-UHFFFAOYSA-N
XLogP2.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methaqualone
CID 6292
4(1H)-Quinazolinone
CID 135408753
Afloqualone
CID 2040
2-Methyl-4(3H)-quinazolinone
CID 135400457
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
Azd-6703
CID 11373432
(-)-6,7,7a,8-Tetrahydroquinazolino(3',2':1,6)pyrido(2,3-b)(1,4)benzodiazepine-9,16-dione
CID 130919
2-Propoxy-3-propyl-4(3H)-quinazolinone
CID 11770728
ME0328
CID 135566764
3-Benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 15649435

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 800641) is N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is Cc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is UWLROEZUPGJZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-6-8-14(9-7-13)20-17(22)10-11-21-12-19-16-5-3-2-4-15(16)18(21)23/h2-9,12H,10-11H2,1H3,(H,20,22).
What are the key properties of N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 307.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 800641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).