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

C17H14FN3O3 — CID 135996010

IUPAC5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccc(F)c3c(=O)[nH]2)c1
InChIInChI=1S/C17H14FN3O3/c1-24-11-5-2-4-10(8-11)9-19-17(23)15-20-13-7-3-6-12(18)14(13)16(22)21-15/h2-8H,9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyVPGPVHGVMYSIGU-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.00
Rot. Bonds4

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

5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135996010) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135996010
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccc(F)c3c(=O)[nH]2)c1
InChIInChI=1S/C17H14FN3O3/c1-24-11-5-2-4-10(8-11)9-19-17(23)15-20-13-7-3-6-12(18)14(13)16(22)21-15/h2-8H,9H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyVPGPVHGVMYSIGU-UHFFFAOYSA-N
XLogP2.00
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 135996010) is 5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide is COc1cccc(CNC(=O)c2nc3cccc(F)c3c(=O)[nH]2)c1.
What is the InChIKey of 5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is VPGPVHGVMYSIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-24-11-5-2-4-10(8-11)9-19-17(23)15-20-13-7-3-6-12(18)14(13)16(22)21-15/h2-8H,9H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135996010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).