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

C18H17N3O4 — CID 135996012

IUPAC7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cc(OC)ccc3c(=O)[nH]2)c1
InChIInChI=1S/C18H17N3O4/c1-24-12-5-3-4-11(8-12)10-19-18(23)16-20-15-9-13(25-2)6-7-14(15)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyYKJPMZXVIFUFPW-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.87
Rot. Bonds5

About 7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide

7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135996012) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135996012
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cc(OC)ccc3c(=O)[nH]2)c1
InChIInChI=1S/C18H17N3O4/c1-24-12-5-3-4-11(8-12)10-19-18(23)16-20-15-9-13(25-2)6-7-14(15)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyYKJPMZXVIFUFPW-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 7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of 7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 135996012) is 7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide is COc1cccc(CNC(=O)c2nc3cc(OC)ccc3c(=O)[nH]2)c1.
What is the InChIKey of 7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is YKJPMZXVIFUFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-12-5-3-4-11(8-12)10-19-18(23)16-20-15-9-13(25-2)6-7-14(15)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
7-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 7-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135996012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).