N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide

C17H15BrN4O — CID 143862897

IUPACN-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1C
InChIInChI=1S/C17H15BrN4O/c1-10-6-16-14(8-15(10)21-11(2)23)17(20-9-19-16)22-13-5-3-4-12(18)7-13/h3-9H,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyCCUWZHCSOJZKSR-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.40
Rot. Bonds3

About N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide

N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide (PubChem CID 143862897) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
PubChem CID143862897
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC NameN-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1C
InChIInChI=1S/C17H15BrN4O/c1-10-6-16-14(8-15(10)21-11(2)23)17(20-9-19-16)22-13-5-3-4-12(18)7-13/h3-9H,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyCCUWZHCSOJZKSR-UHFFFAOYSA-N
XLogP4.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide
CID 19001462
N-[4-(3-bromoanilino)quinazolin-7-yl]-2-methylprop-2-enamide
CID 18176145
(E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-oxopent-2-enamide
CID 5329078
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
(E)-4-bromo-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]but-2-enamide
CID 22269894
N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide
CID 11213767
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
N-[4-(3-bromoanilino)-7-(2-ethoxyethoxy)quinazolin-6-yl]prop-2-enamide
CID 69320575
N-[3-[[4-(3-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23536377

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide?
The IUPAC name of N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide (CID 143862897) is N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide.
What is the SMILES notation for N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide?
The canonical SMILES for N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide is CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1C.
What is the InChIKey of N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide?
The InChIKey is CCUWZHCSOJZKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c1-10-6-16-14(8-15(10)21-11(2)23)17(20-9-19-16)22-13-5-3-4-12(18)7-13/h3-9H,1-2H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide?
N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide has a molecular weight of 371.24 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide is sourced from PubChem (CID 143862897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).