2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine

C22H18Cl2N4 — CID 56729213

IUPAC2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
SMILESCC(Nc1nc(Nc2cccc(Cl)c2Cl)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H18Cl2N4/c1-14(15-8-3-2-4-9-15)25-21-16-10-5-6-12-18(16)26-22(28-21)27-19-13-7-11-17(23)20(19)24/h2-14H,1H3,(H2,25,26,27,28)
InChIKeyHMPNJHYQYZZIPG-UHFFFAOYSA-N
MW409.32 g/mol
LogP6.85
Rot. Bonds5

About 2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine

2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine (PubChem CID 56729213) has the molecular formula C22H18Cl2N4 and a molecular weight of 409.32 g/mol. Its IUPAC name is 2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
PubChem CID56729213
Molecular FormulaC22H18Cl2N4
Molecular Weight409.32 g/mol
Exact Mass408.09
IUPAC Name2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
SMILESCC(Nc1nc(Nc2cccc(Cl)c2Cl)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H18Cl2N4/c1-14(15-8-3-2-4-9-15)25-21-16-10-5-6-12-18(16)26-22(28-21)27-19-13-7-11-17(23)20(19)24/h2-14H,1H3,(H2,25,26,27,28)
InChIKeyHMPNJHYQYZZIPG-UHFFFAOYSA-N
XLogP6.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729179
2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol
CID 56729182
2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729221
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 56729195
4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
CID 80755119
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690632
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine
CID 175678331
2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 2790952
5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 87057014
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691183
2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966057

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine (CID 56729213) is 2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine is CC(Nc1nc(Nc2cccc(Cl)c2Cl)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
The InChIKey is HMPNJHYQYZZIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4/c1-14(15-8-3-2-4-9-15)25-21-16-10-5-6-12-18(16)26-22(28-21)27-19-13-7-11-17(23)20(19)24/h2-14H,1H3,(H2,25,26,27,28).
What are the key properties of 2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine has a molecular weight of 409.32 g/mol, XLogP of 6.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 56729213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).