5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide

C18H17N3O4 — CID 135996009

IUPAC5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccc(OC)c3c(=O)[nH]2)c1
InChIInChI=1S/C18H17N3O4/c1-24-12-6-3-5-11(9-12)10-19-18(23)16-20-13-7-4-8-14(25-2)15(13)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyDMYYEEBDCYKOBI-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.87
Rot. Bonds5

About 5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide

5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135996009) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135996009
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccc(OC)c3c(=O)[nH]2)c1
InChIInChI=1S/C18H17N3O4/c1-24-12-6-3-5-11(9-12)10-19-18(23)16-20-13-7-4-8-14(25-2)15(13)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyDMYYEEBDCYKOBI-UHFFFAOYSA-N
XLogP1.87
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of 5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 135996009) is 5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide is COc1cccc(CNC(=O)c2nc3cccc(OC)c3c(=O)[nH]2)c1.
What is the InChIKey of 5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is DMYYEEBDCYKOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-12-6-3-5-11(9-12)10-19-18(23)16-20-13-7-4-8-14(25-2)15(13)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135996009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).