2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride

C16H18BrCl2N5 — CID 118386833

IUPAC2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride
SMILESCl.Cl.NCCc1nc(Nc2cccc(Br)c2)c2cc(N)ccc2n1
InChIInChI=1S/C16H16BrN5.2ClH/c17-10-2-1-3-12(8-10)20-16-13-9-11(19)4-5-14(13)21-15(22-16)6-7-18;;/h1-5,8-9H,6-7,18-19H2,(H,20,21,22);2*1H
InChIKeyGQUZUIQNZHOXPG-UHFFFAOYSA-N
MW431.17 g/mol
LogP4.06
Rot. Bonds4

About 2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride

2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride (PubChem CID 118386833) has the molecular formula C16H18BrCl2N5 and a molecular weight of 431.17 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride
PubChem CID118386833
Molecular FormulaC16H18BrCl2N5
Molecular Weight431.17 g/mol
Exact Mass429.01
IUPAC Name2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride
SMILESCl.Cl.NCCc1nc(Nc2cccc(Br)c2)c2cc(N)ccc2n1
InChIInChI=1S/C16H16BrN5.2ClH/c17-10-2-1-3-12(8-10)20-16-13-9-11(19)4-5-14(13)21-15(22-16)6-7-18;;/h1-5,8-9H,6-7,18-19H2,(H,20,21,22);2*1H
InChIKeyGQUZUIQNZHOXPG-UHFFFAOYSA-N
XLogP4.06
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.17
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine
CID 84608604
2-N-(3-bromophenyl)quinoline-2,6-diamine
CID 43450961
4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine
CID 69013542
4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine
CID 69014089
6-(2-amino-5-methylphenyl)-4-N-(3-bromophenyl)quinazoline-2,4-diamine
CID 69013442
4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine
CID 69015346
4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine
CID 80738031
3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide
CID 69017846
N-[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-N-methylformamide
CID 87658081
6-bromo-N,2-diphenylquinazolin-4-amine
CID 23910410
4-N-(3-bromophenyl)-6-(1-phenylcyclohexa-2,4-dien-1-yl)quinazoline-2,4-diamine
CID 69015312
2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-4-N-(3-iodophenyl)quinazoline-4,6-diamine
CID 91363838

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride (CID 118386833) is 2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride is Cl.Cl.NCCc1nc(Nc2cccc(Br)c2)c2cc(N)ccc2n1.
What is the InChIKey of 2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride?
The InChIKey is GQUZUIQNZHOXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5.2ClH/c17-10-2-1-3-12(8-10)20-16-13-9-11(19)4-5-14(13)21-15(22-16)6-7-18;;/h1-5,8-9H,6-7,18-19H2,(H,20,21,22);2*1H.
What are the key properties of 2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride?
2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride has a molecular weight of 431.17 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride is sourced from PubChem (CID 118386833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).