6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride

C22H20ClN3O2 — CID 57398154

IUPAC6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
SMILESCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1.Cl
InChIInChI=1S/C22H19N3O2.ClH/c1-26-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)27-14-16-5-3-2-4-6-16;/h2-13,15H,14H2,1H3,(H,23,24,25);1H
InChIKeyMLKBEZWZIXORGM-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.38
Rot. Bonds6

About 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride

6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride (PubChem CID 57398154) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
PubChem CID57398154
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
SMILESCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1.Cl
InChIInChI=1S/C22H19N3O2.ClH/c1-26-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)27-14-16-5-3-2-4-6-16;/h2-13,15H,14H2,1H3,(H,23,24,25);1H
InChIKeyMLKBEZWZIXORGM-UHFFFAOYSA-N
XLogP5.38
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 176870
Erlotinib Hydrochloride
CID 176871
Icotinib
CID 22024915
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CID 11414799
Zotiraciclib
CID 16739650
Whi-p131
CID 3794
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
4-(3-Bromoanilino)-6,7-diethoxyquinazoline
CID 2857
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
4-(3-Hydroxyanilino)-6,7-Dimethoxyquinazoline
CID 5687
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride (CID 57398154) is 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride is COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1.Cl.
What is the InChIKey of 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is MLKBEZWZIXORGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2.ClH/c1-26-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)27-14-16-5-3-2-4-6-16;/h2-13,15H,14H2,1H3,(H,23,24,25);1H.
What are the key properties of 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 57398154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).