5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride

C23H22ClN3O3 — CID 67698116

IUPAC5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
SMILESCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1OC.Cl
InChIInChI=1S/C23H21N3O3.ClH/c1-27-20-13-12-19-21(22(20)28-2)23(25-15-24-19)26-17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16;/h3-13,15H,14H2,1-2H3,(H,24,25,26);1H
InChIKeyXNLSPVQMGXRFSE-UHFFFAOYSA-N
MW423.90 g/mol
LogP5.39
Rot. Bonds7

About 5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride

5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride (PubChem CID 67698116) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
PubChem CID67698116
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
SMILESCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1OC.Cl
InChIInChI=1S/C23H21N3O3.ClH/c1-27-20-13-12-19-21(22(20)28-2)23(25-15-24-19)26-17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16;/h3-13,15H,14H2,1-2H3,(H,24,25,26);1H
InChIKeyXNLSPVQMGXRFSE-UHFFFAOYSA-N
XLogP5.39
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide
CID 134138310
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
N-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrimido[4,5-h][1,4]benzoxazin-10-amine
CID 155755946
N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 22112865
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 44523346
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile
CID 1475663
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride (CID 67698116) is 5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride is COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1OC.Cl.
What is the InChIKey of 5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is XNLSPVQMGXRFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3.ClH/c1-27-20-13-12-19-21(22(20)28-2)23(25-15-24-19)26-17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16;/h3-13,15H,14H2,1-2H3,(H,24,25,26);1H.
What are the key properties of 5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride?
5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 423.90 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 67698116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).