bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium

C34H32N6O7P+ — CID 155026757

IUPACbis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium
SMILESCOc1cc2ncnc(NCc3ccc(O[P+](=O)Oc4ccc(CNc5ncnc6cc(OC)c(OC)cc56)cc4)cc3)c2cc1OC
InChIInChI=1S/C34H32N6O7P/c1-42-29-13-25-27(15-31(29)44-3)37-19-39-33(25)35-17-21-5-9-23(10-6-21)46-48(41)47-24-11-7-22(8-12-24)18-36-34-26-14-30(43-2)32(45-4)16-28(26)38-20-40-34/h5-16,19-20H,17-18H2,1-4H3,(H,35,37,39)(H,36,38,40)/q+1
InChIKeyNRTVPFQZGIJZMH-UHFFFAOYSA-N
MW667.64 g/mol
LogP6.95
Rot. Bonds14

About bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium

bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium (PubChem CID 155026757) has the molecular formula C34H32N6O7P+ and a molecular weight of 667.64 g/mol. Its IUPAC name is bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium
PubChem CID155026757
Molecular FormulaC34H32N6O7P+
Molecular Weight667.64 g/mol
Exact Mass667.21
IUPAC Namebis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium
SMILESCOc1cc2ncnc(NCc3ccc(O[P+](=O)Oc4ccc(CNc5ncnc6cc(OC)c(OC)cc56)cc4)cc3)c2cc1OC
InChIInChI=1S/C34H32N6O7P/c1-42-29-13-25-27(15-31(29)44-3)37-19-39-33(25)35-17-21-5-9-23(10-6-21)46-48(41)47-24-11-7-22(8-12-24)18-36-34-26-14-30(43-2)32(45-4)16-28(26)38-20-40-34/h5-16,19-20H,17-18H2,1-4H3,(H,35,37,39)(H,36,38,40)/q+1
InChIKeyNRTVPFQZGIJZMH-UHFFFAOYSA-N
XLogP6.95
TPSA148.07 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500667.64
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]phosphonous acid
CID 154672976
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
8-[4-(benzylamino)-7-methoxyquinazolin-6-yl]oxy-1-hydroxyoctan-2-one
CID 58172505
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide
CID 162253272
6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
CID 151000530
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
7-[7-methoxy-4-[2-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 68728406
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine
CID 71761600
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254

Frequently Asked Questions

What is the IUPAC name of bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium?
The IUPAC name of bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium (CID 155026757) is bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium.
What is the SMILES notation for bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium?
The canonical SMILES for bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium is COc1cc2ncnc(NCc3ccc(O[P+](=O)Oc4ccc(CNc5ncnc6cc(OC)c(OC)cc56)cc4)cc3)c2cc1OC.
What is the InChIKey of bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium?
The InChIKey is NRTVPFQZGIJZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O7P/c1-42-29-13-25-27(15-31(29)44-3)37-19-39-33(25)35-17-21-5-9-23(10-6-21)46-48(41)47-24-11-7-22(8-12-24)18-36-34-26-14-30(43-2)32(45-4)16-28(26)38-20-40-34/h5-16,19-20H,17-18H2,1-4H3,(H,35,37,39)(H,36,38,40)/q+1.
What are the key properties of bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium?
bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium has a molecular weight of 667.64 g/mol, XLogP of 6.95, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium is sourced from PubChem (CID 155026757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).