[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride

C37H34ClN2O4P — CID 10722756

IUPAC[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride
SMILESCOc1ccc(-c2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc3cc(OC)c(OC)cc23)cc1OC.[Cl-]
InChIInChI=1S/C37H34N2O4P.ClH/c1-40-32-21-20-26(22-33(32)41-2)37-30-23-34(42-3)35(43-4)24-31(30)38-36(39-37)25-44(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29;/h5-24H,25H2,1-4H3;1H/q+1;/p-1
InChIKeyHFEWPERTTBCIIV-UHFFFAOYSA-M
MW637.12 g/mol
LogP3.83
Rot. Bonds10

About [4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride

[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride (PubChem CID 10722756) has the molecular formula C37H34ClN2O4P and a molecular weight of 637.12 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride
PubChem CID10722756
Molecular FormulaC37H34ClN2O4P
Molecular Weight637.12 g/mol
Exact Mass636.19
IUPAC Name[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride
SMILESCOc1ccc(-c2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc3cc(OC)c(OC)cc23)cc1OC.[Cl-]
InChIInChI=1S/C37H34N2O4P.ClH/c1-40-32-21-20-26(22-33(32)41-2)37-30-23-34(42-3)35(43-4)24-31(30)38-36(39-37)25-44(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29;/h5-24H,25H2,1-4H3;1H/q+1;/p-1
InChIKeyHFEWPERTTBCIIV-UHFFFAOYSA-M
XLogP3.83
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.12
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-6,7-dimethoxy-4-quinazolinamine
CID 90235
Abanoquil
CID 164089
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
Src Kinase Inhibitor I
CID 1474853
2,4-Quinazolinediamine, 6,7-dimethoxy-N2,N2-dimethyl-
CID 29503
1,4-Bis(4-amino-6,7-dimethoxy-2-quinazolinyl)piperazine
CID 616293
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
CID 2808977
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
6,7-Dimethoxy-2,4-quinazolinediamine
CID 4122435
2-Chloro-6,7-dimethoxy-4-(piperidin-1-yl)quinazoline
CID 1713515

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride?
The IUPAC name of [4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride (CID 10722756) is [4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride is COc1ccc(-c2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc3cc(OC)c(OC)cc23)cc1OC.[Cl-].
What is the InChIKey of [4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride?
The InChIKey is HFEWPERTTBCIIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C37H34N2O4P.ClH/c1-40-32-21-20-26(22-33(32)41-2)37-30-23-34(42-3)35(43-4)24-31(30)38-36(39-37)25-44(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29;/h5-24H,25H2,1-4H3;1H/q+1;/p-1.
What are the key properties of [4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride?
[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride has a molecular weight of 637.12 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl-triphenylphosphanium chloride is sourced from PubChem (CID 10722756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).