N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine

C17H16BrN3O2 — CID 5328227

IUPACN-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine
SMILESCOc1cc2ncnc(N(C)c3cccc(Br)c3)c2cc1OC
InChIInChI=1S/C17H16BrN3O2/c1-21(12-6-4-5-11(18)7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3
InChIKeyIPWGDOZPSOZFOD-UHFFFAOYSA-N
MW374.24 g/mol
LogP4.18
Rot. Bonds4

About N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine

N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine (PubChem CID 5328227) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine
PubChem CID5328227
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC NameN-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine
SMILESCOc1cc2ncnc(N(C)c3cccc(Br)c3)c2cc1OC
InChIInChI=1S/C17H16BrN3O2/c1-21(12-6-4-5-11(18)7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3
InChIKeyIPWGDOZPSOZFOD-UHFFFAOYSA-N
XLogP4.18
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine (CID 5328227) is N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine is COc1cc2ncnc(N(C)c3cccc(Br)c3)c2cc1OC.
What is the InChIKey of N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine?
The InChIKey is IPWGDOZPSOZFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-21(12-6-4-5-11(18)7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3.
What are the key properties of N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine?
N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine has a molecular weight of 374.24 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine is sourced from PubChem (CID 5328227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).