2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide

C18H17N3O3 — CID 71710025

IUPAC2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3ncn(C)c(=O)c3c2)cc1
InChIInChI=1S/C18H17N3O3/c1-21-11-19-16-8-5-13(10-15(16)18(21)23)20-17(22)9-12-3-6-14(24-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeyUCDOBVIBFXTYKE-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.12
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide

2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide (PubChem CID 71710025) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide
PubChem CID71710025
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3ncn(C)c(=O)c3c2)cc1
InChIInChI=1S/C18H17N3O3/c1-21-11-19-16-8-5-13(10-15(16)18(21)23)20-17(22)9-12-3-6-14(24-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeyUCDOBVIBFXTYKE-UHFFFAOYSA-N
XLogP2.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
CID 379514
2-(4-methoxyanilino)-4(3H)-quinazolinone
CID 135444387
3-(4-Methoxyphenyl)-2-methyl-4(3H)-quinazolinone
CID 63137
4'-Methoxycyclopeptin
CID 102515481
3-[4-(2-fluorophenoxy)butyl]-4(3H)-quinazolinone
CID 2216097
3-[4-(4-ethoxyphenoxy)butyl]-4(3H)-quinazolinone
CID 2582718
Sodium {3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanide
CID 3773368
3-[2-(4-Ethoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 4809024
3-[2-[4-(Difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one
CID 7628255
T5567366
CID 7874936
(2E)-3-(2-furyl)-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)acrylamide
CID 16193590

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide (CID 71710025) is 2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide is COc1ccc(CC(=O)Nc2ccc3ncn(C)c(=O)c3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide?
The InChIKey is UCDOBVIBFXTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21-11-19-16-8-5-13(10-15(16)18(21)23)20-17(22)9-12-3-6-14(24-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide?
2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)acetamide is sourced from PubChem (CID 71710025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).