N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C17H17N5O3 — CID 71795774

IUPACN-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCCOc1cc(NC(=O)CCn2cnc3ccccc3c2=O)ncn1
InChIInChI=1S/C17H17N5O3/c1-2-25-16-9-14(18-10-19-16)21-15(23)7-8-22-11-20-13-6-4-3-5-12(13)17(22)24/h3-6,9-11H,2,7-8H2,1H3,(H,18,19,21,23)
InChIKeyLASROIKMMFJBHU-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.61
Rot. Bonds6

About N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 71795774) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID71795774
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCCOc1cc(NC(=O)CCn2cnc3ccccc3c2=O)ncn1
InChIInChI=1S/C17H17N5O3/c1-2-25-16-9-14(18-10-19-16)21-15(23)7-8-22-11-20-13-6-4-3-5-12(13)17(22)24/h3-6,9-11H,2,7-8H2,1H3,(H,18,19,21,23)
InChIKeyLASROIKMMFJBHU-UHFFFAOYSA-N
XLogP1.61
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
N-(4-methyl-2-propoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55902104
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 155916047
3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 47083211
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 71795774) is N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide is CCOc1cc(NC(=O)CCn2cnc3ccccc3c2=O)ncn1.
What is the InChIKey of N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is LASROIKMMFJBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-2-25-16-9-14(18-10-19-16)21-15(23)7-8-22-11-20-13-6-4-3-5-12(13)17(22)24/h3-6,9-11H,2,7-8H2,1H3,(H,18,19,21,23).
What are the key properties of N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 339.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 71795774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).