2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine

C18H19ClN4 — CID 50967665

IUPAC2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine
SMILESNCCc1nc(NCCc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C18H19ClN4/c19-15-7-3-1-5-13(15)10-12-21-18-14-6-2-4-8-16(14)22-17(23-18)9-11-20/h1-8H,9-12,20H2,(H,21,22,23)
InChIKeySWUHHAAAHDREKU-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.44
Rot. Bonds6

About 2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine

2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine (PubChem CID 50967665) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine
PubChem CID50967665
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine
SMILESNCCc1nc(NCCc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C18H19ClN4/c19-15-7-3-1-5-13(15)10-12-21-18-14-6-2-4-8-16(14)22-17(23-18)9-11-20/h1-8H,9-12,20H2,(H,21,22,23)
InChIKeySWUHHAAAHDREKU-UHFFFAOYSA-N
XLogP3.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminoethyl)-N-[2-(2-chlorophenyl)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

Related Compounds

N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine
CID 142747337
N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143396865
2-(2-aminoethyl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinazolin-4-amine
CID 50971267
2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine
CID 50976321
2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine
CID 50981823
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine
CID 50964550
N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride
CID 154887337
2-(2-aminoethyl)-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]quinazolin-4-amine
CID 95127666
2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine
CID 95144128
2-(2-aminoethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)quinazolin-4-amine
CID 50980828

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine (CID 50967665) is 2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine is NCCc1nc(NCCc2ccccc2Cl)c2ccccc2n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine?
The InChIKey is SWUHHAAAHDREKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-15-7-3-1-5-13(15)10-12-21-18-14-6-2-4-8-16(14)22-17(23-18)9-11-20/h1-8H,9-12,20H2,(H,21,22,23).
What are the key properties of 2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine?
2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine has a molecular weight of 326.83 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 50967665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).