2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide

C15H11BrN4O — CID 24749595

IUPAC2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(Br)cc2)c2ccccc2n1
InChIInChI=1S/C15H11BrN4O/c16-9-5-7-10(8-6-9)18-14(21)13-11-3-1-2-4-12(11)19-15(17)20-13/h1-8H,(H,18,21)(H2,17,19,20)
InChIKeyDYTZVUGMYADHJM-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.23
Rot. Bonds2

About 2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide

2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide (PubChem CID 24749595) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide
PubChem CID24749595
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(Br)cc2)c2ccccc2n1
InChIInChI=1S/C15H11BrN4O/c16-9-5-7-10(8-6-9)18-14(21)13-11-3-1-2-4-12(11)19-15(17)20-13/h1-8H,(H,18,21)(H2,17,19,20)
InChIKeyDYTZVUGMYADHJM-UHFFFAOYSA-N
XLogP3.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetylaminoquinazoline-4-carboxyanilide
CID 24749707
2-Benzoylaminoquinazoline-4-carboxyanilide
CID 24749708
2-Aminoquinazoline-4-carboxyanilide
CID 24749831
2-amino-8-bromo-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444992
(2-bromophenyl)-N-(2-quinolyl)carboxamide
CID 678249
3-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-benzamide
CID 44390706
US10138212, Example 76
CID 122444994
2-(3-bromophenyl)-N-(2,4-diamino-5-methylquinazolin-6-yl)acetamide
CID 12214858
2-Aminoquinazoline-4-carboxy-(4-methylphenyl)amide
CID 24749594
4-(4-Phenylpiperazine-1-carbonyl)quinazoline-2-carboxamide
CID 44144297
2-amino-N-benzyl-8-fluoroquinazoline-4-carboxamide
CID 127040562
2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide
CID 127040563

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide (CID 24749595) is 2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide is Nc1nc(C(=O)Nc2ccc(Br)cc2)c2ccccc2n1.
What is the InChIKey of 2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide?
The InChIKey is DYTZVUGMYADHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-9-5-7-10(8-6-9)18-14(21)13-11-3-1-2-4-12(11)19-15(17)20-13/h1-8H,(H,18,21)(H2,17,19,20).
What are the key properties of 2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide?
2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromophenyl)quinazoline-4-carboxamide is sourced from PubChem (CID 24749595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).