4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine

C14H10BrClN4 — CID 5328213

IUPAC4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine
SMILESNc1cc2c(Nc3cccc(Br)c3)ncnc2cc1Cl
InChIInChI=1S/C14H10BrClN4/c15-8-2-1-3-9(4-8)20-14-10-5-12(17)11(16)6-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyDXPXPVHLPOANFF-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.37
Rot. Bonds2

About 4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine

4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine (PubChem CID 5328213) has the molecular formula C14H10BrClN4 and a molecular weight of 349.62 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine
PubChem CID5328213
Molecular FormulaC14H10BrClN4
Molecular Weight349.62 g/mol
Exact Mass347.98
IUPAC Name4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine
SMILESNc1cc2c(Nc3cccc(Br)c3)ncnc2cc1Cl
InChIInChI=1S/C14H10BrClN4/c15-8-2-1-3-9(4-8)20-14-10-5-12(17)11(16)6-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyDXPXPVHLPOANFF-UHFFFAOYSA-N
XLogP4.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Pd 168393
CID 4708
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
N-(4-((3-bromophenyl)amino)-6-quinazolinyl)-2-butynamide
CID 2776
N4-(3-bromophenyl)-4,6,7-Quinazolinetriamine
CID 2426
6-Amino-4-[(3-bromophenyl)amino]-7-(methylamino)quinazoline
CID 4706
PD 174265
CID 4709
7-Amino-4-[(3-bromophenyl)amino]quinazoline
CID 5328045
(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-enamide
CID 5328982
4-(3-Chloroanilino)quinazoline
CID 128872
4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine
CID 5328203
N-(3-bromophenyl)-7-chloro-6-nitroquinazolin-4-amine
CID 5328219
N-(3-bromophenyl)-6-chloropyrido[3,4-d]pyrimidin-4-amine
CID 5328259

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine (CID 5328213) is 4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine is Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1Cl.
What is the InChIKey of 4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine?
The InChIKey is DXPXPVHLPOANFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4/c15-8-2-1-3-9(4-8)20-14-10-5-12(17)11(16)6-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20).
What are the key properties of 4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine?
4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine has a molecular weight of 349.62 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine is sourced from PubChem (CID 5328213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).