N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine

C23H20N4O — CID 5339750

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
SMILESCOc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C23H20N4O/c1-16-7-11-18(12-8-16)22-25-21-6-4-3-5-20(21)23(26-22)27-24-15-17-9-13-19(28-2)14-10-17/h3-15H,1-2H3,(H,25,26,27)/b24-15+
InChIKeyQXXLRDRDKCXKHC-BUVRLJJBSA-N
MW368.44 g/mol
LogP5.06
Rot. Bonds5

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine (PubChem CID 5339750) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
PubChem CID5339750
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
SMILESCOc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C23H20N4O/c1-16-7-11-18(12-8-16)22-25-21-6-4-3-5-20(21)23(26-22)27-24-15-17-9-13-19(28-2)14-10-17/h3-15H,1-2H3,(H,25,26,27)/b24-15+
InChIKeyQXXLRDRDKCXKHC-BUVRLJJBSA-N
XLogP5.06
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]quinazolin-4-amine
CID 5339803
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine
CID 3446041
4-[(E)-[[2-(4-bromophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135411545
4-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135549541
N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963225
2-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164
1-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]phthalazine-1,4-diamine
CID 71482556
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135650334
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 2848406
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
CID 4014004

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine (CID 5339750) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine is COc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine?
The InChIKey is QXXLRDRDKCXKHC-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-7-11-18(12-8-16)22-25-21-6-4-3-5-20(21)23(26-22)27-24-15-17-9-13-19(28-2)14-10-17/h3-15H,1-2H3,(H,25,26,27)/b24-15+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine has a molecular weight of 368.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 5339750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).