7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride

C23H20Cl2N4O — CID 160960043

IUPAC7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
SMILESCC=NN(c1ccc(OCc2ccccc2)cc1)c1ncnc2cc(Cl)ccc12.Cl
InChIInChI=1S/C23H19ClN4O.ClH/c1-2-27-28(23-21-13-8-18(24)14-22(21)25-16-26-23)19-9-11-20(12-10-19)29-15-17-6-4-3-5-7-17;/h2-14,16H,15H2,1H3;1H
InChIKeySWWXGTFTEKQFGJ-UHFFFAOYSA-N
MW439.35 g/mol
LogP6.43
Rot. Bonds6

About 7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride

7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride (PubChem CID 160960043) has the molecular formula C23H20Cl2N4O and a molecular weight of 439.35 g/mol. Its IUPAC name is 7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
PubChem CID160960043
Molecular FormulaC23H20Cl2N4O
Molecular Weight439.35 g/mol
Exact Mass438.10
IUPAC Name7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
SMILESCC=NN(c1ccc(OCc2ccccc2)cc1)c1ncnc2cc(Cl)ccc12.Cl
InChIInChI=1S/C23H19ClN4O.ClH/c1-2-27-28(23-21-13-8-18(24)14-22(21)25-16-26-23)19-9-11-20(12-10-19)29-15-17-6-4-3-5-7-17;/h2-14,16H,15H2,1H3;1H
InChIKeySWWXGTFTEKQFGJ-UHFFFAOYSA-N
XLogP6.43
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 56.43
H-Bond Donors ≤ 50
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'}

Analyze 7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride 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

1-[(7-chloroquinazolin-4-yl)-methylamino]-3-phenylmethoxypropan-2-ol
CID 86941486
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
4-(3-chloro-4-fluoro-N-phenylmethoxyanilino)quinazolin-6-ol
CID 141235408
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
4-chloro-6-fluoro-7-phenylmethoxyquinazoline
CID 86605229
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
7-phenylmethoxy-4-pyridin-4-ylquinazoline
CID 69163719
4-chloro-7-(trifluoromethyl)quinazoline;N-(4-phenylmethoxyphenyl)-7-(trifluoromethyl)quinazolin-4-amine;hydrochloride
CID 160518388
4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline
CID 141092250

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride (CID 160960043) is 7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride is CC=NN(c1ccc(OCc2ccccc2)cc1)c1ncnc2cc(Cl)ccc12.Cl.
What is the InChIKey of 7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is SWWXGTFTEKQFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O.ClH/c1-2-27-28(23-21-13-8-18(24)14-22(21)25-16-26-23)19-9-11-20(12-10-19)29-15-17-6-4-3-5-7-17;/h2-14,16H,15H2,1H3;1H.
What are the key properties of 7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 439.35 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(ethylideneamino)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 160960043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).