N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide

C17H14BrN3O3 — CID 14528226

IUPACN-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(OC)c(Br)c3)ncc2c1
InChIInChI=1S/C17H14BrN3O3/c1-23-12-4-5-14-10(7-12)9-19-16(21-14)17(22)20-11-3-6-15(24-2)13(18)8-11/h3-9H,1-2H3,(H,20,22)
InChIKeySPKYJBDUGREQHJ-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.66
Rot. Bonds4

About N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide

N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide (PubChem CID 14528226) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide
PubChem CID14528226
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC NameN-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(OC)c(Br)c3)ncc2c1
InChIInChI=1S/C17H14BrN3O3/c1-23-12-4-5-14-10(7-12)9-19-16(21-14)17(22)20-11-3-6-15(24-2)13(18)8-11/h3-9H,1-2H3,(H,20,22)
InChIKeySPKYJBDUGREQHJ-UHFFFAOYSA-N
XLogP3.66
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide (CID 14528226) is N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide is COc1ccc2nc(C(=O)Nc3ccc(OC)c(Br)c3)ncc2c1.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide?
The InChIKey is SPKYJBDUGREQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-23-12-4-5-14-10(7-12)9-19-16(21-14)17(22)20-11-3-6-15(24-2)13(18)8-11/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide?
N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide has a molecular weight of 388.22 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-6-methoxyquinazoline-2-carboxamide is sourced from PubChem (CID 14528226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).