2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine

C22H19ClN4 — CID 56729179

IUPAC2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
SMILESCC(Nc1nc(Nc2ccccc2Cl)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H19ClN4/c1-15(16-9-3-2-4-10-16)24-21-17-11-5-7-13-19(17)25-22(27-21)26-20-14-8-6-12-18(20)23/h2-15H,1H3,(H2,24,25,26,27)
InChIKeyREPVVVLQUCZDKU-UHFFFAOYSA-N
MW374.88 g/mol
LogP6.20
Rot. Bonds5

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

2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine (PubChem CID 56729179) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
PubChem CID56729179
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC Name2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
SMILESCC(Nc1nc(Nc2ccccc2Cl)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H19ClN4/c1-15(16-9-3-2-4-10-16)24-21-17-11-5-7-13-19(17)25-22(27-21)26-20-14-8-6-12-18(20)23/h2-15H,1H3,(H2,24,25,26,27)
InChIKeyREPVVVLQUCZDKU-UHFFFAOYSA-N
XLogP6.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.88
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729213
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
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
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690632
2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966057
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
2-N,2-N-diethyl-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729230
2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690548

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine (CID 56729179) is 2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine is CC(Nc1nc(Nc2ccccc2Cl)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
The InChIKey is REPVVVLQUCZDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4/c1-15(16-9-3-2-4-10-16)24-21-17-11-5-7-13-19(17)25-22(27-21)26-20-14-8-6-12-18(20)23/h2-15H,1H3,(H2,24,25,26,27).
What are the key properties of 2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine has a molecular weight of 374.88 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 56729179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).