2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine

C21H14Cl2N4 — CID 5160943

IUPAC2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine
SMILESClc1ccc(C=NNc2nc(-c3ccccc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C21H14Cl2N4/c22-15-11-9-14(10-12-15)13-24-27-21-17-6-2-4-8-19(17)25-20(26-21)16-5-1-3-7-18(16)23/h1-13H,(H,25,26,27)
InChIKeyMKBYDBHGRQPQGO-UHFFFAOYSA-N
MW393.28 g/mol
LogP6.05
Rot. Bonds4

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

2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine (PubChem CID 5160943) has the molecular formula C21H14Cl2N4 and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine
PubChem CID5160943
Molecular FormulaC21H14Cl2N4
Molecular Weight393.28 g/mol
Exact Mass392.06
IUPAC Name2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine
SMILESClc1ccc(C=NNc2nc(-c3ccccc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C21H14Cl2N4/c22-15-11-9-14(10-12-15)13-24-27-21-17-6-2-4-8-19(17)25-20(26-21)16-5-1-3-7-18(16)23/h1-13H,(H,25,26,27)
InChIKeyMKBYDBHGRQPQGO-UHFFFAOYSA-N
XLogP6.05
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine
CID 3764445
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135719981
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
CID 135549514
4-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135549541
N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
CID 3835429
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750
2-[4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]quinazolin-2-yl]phenol
CID 135536519
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenyl)quinazolin-4-amine
CID 3810080
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
2-(4-methylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]quinazolin-4-amine
CID 5339803
N-butan-2-yl-2-(2-chlorophenyl)quinazolin-4-amine
CID 23796400

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine (CID 5160943) is 2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine is Clc1ccc(C=NNc2nc(-c3ccccc3Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine?
The InChIKey is MKBYDBHGRQPQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4/c22-15-11-9-14(10-12-15)13-24-27-21-17-6-2-4-8-19(17)25-20(26-21)16-5-1-3-7-18(16)23/h1-13H,(H,25,26,27).
What are the key properties of 2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine?
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine has a molecular weight of 393.28 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine is sourced from PubChem (CID 5160943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).