2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine

C22H24BrClN4 — CID 68860524

IUPAC2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine
SMILESCN1CCCC(CCNc2nc(-c3ccc(Br)cc3)nc3cc(Cl)ccc23)C1
InChIInChI=1S/C22H24BrClN4/c1-28-12-2-3-15(14-28)10-11-25-22-19-9-8-18(24)13-20(19)26-21(27-22)16-4-6-17(23)7-5-16/h4-9,13,15H,2-3,10-12,14H2,1H3,(H,25,26,27)
InChIKeyACSWJZXDEXMBRF-UHFFFAOYSA-N
MW459.82 g/mol
LogP5.86
Rot. Bonds5

About 2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine

2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine (PubChem CID 68860524) has the molecular formula C22H24BrClN4 and a molecular weight of 459.82 g/mol. Its IUPAC name is 2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine
PubChem CID68860524
Molecular FormulaC22H24BrClN4
Molecular Weight459.82 g/mol
Exact Mass458.09
IUPAC Name2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine
SMILESCN1CCCC(CCNc2nc(-c3ccc(Br)cc3)nc3cc(Cl)ccc23)C1
InChIInChI=1S/C22H24BrClN4/c1-28-12-2-3-15(14-28)10-11-25-22-19-9-8-18(24)13-20(19)26-21(27-22)16-4-6-17(23)7-5-16/h4-9,13,15H,2-3,10-12,14H2,1H3,(H,25,26,27)
InChIKeyACSWJZXDEXMBRF-UHFFFAOYSA-N
XLogP5.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.82
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine (CID 68860524) is 2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine is CN1CCCC(CCNc2nc(-c3ccc(Br)cc3)nc3cc(Cl)ccc23)C1.
What is the InChIKey of 2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is ACSWJZXDEXMBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrClN4/c1-28-12-2-3-15(14-28)10-11-25-22-19-9-8-18(24)13-20(19)26-21(27-22)16-4-6-17(23)7-5-16/h4-9,13,15H,2-3,10-12,14H2,1H3,(H,25,26,27).
What are the key properties of 2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine?
2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 459.82 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-7-chloro-N-[2-(1-methylpiperidin-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 68860524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).