6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

C23H28N4O4 — CID 5330171

IUPAC6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1ccccc1Nc1ncnc2cc(OCCCN3CCOCC3)c(OC)cc12
InChIInChI=1S/C23H28N4O4/c1-28-20-7-4-3-6-18(20)26-23-17-14-21(29-2)22(15-19(17)24-16-25-23)31-11-5-8-27-9-12-30-13-10-27/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H,24,25,26)
InChIKeyDDAWUTZGFPMQAZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.49
Rot. Bonds9

About 6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 5330171) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID5330171
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1ccccc1Nc1ncnc2cc(OCCCN3CCOCC3)c(OC)cc12
InChIInChI=1S/C23H28N4O4/c1-28-20-7-4-3-6-18(20)26-23-17-14-21(29-2)22(15-19(17)24-16-25-23)31-11-5-8-27-9-12-30-13-10-27/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H,24,25,26)
InChIKeyDDAWUTZGFPMQAZ-UHFFFAOYSA-N
XLogP3.49
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330191
N-(2,3-dimethyl-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 68741831
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604
6-methoxy-N-(5-methyl-2-pyridinyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 142051918
N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023
N-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71614729
N-(4-bromo-2,6-difluorophenyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 21260290
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
2-[4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenoxy]benzonitrile
CID 175809881
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 141309114
4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1-methylpyrrole-2-carboxylic acid
CID 58608335

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of 6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 5330171) is 6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is COc1ccccc1Nc1ncnc2cc(OCCCN3CCOCC3)c(OC)cc12.
What is the InChIKey of 6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is DDAWUTZGFPMQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-28-20-7-4-3-6-18(20)26-23-17-14-21(29-2)22(15-19(17)24-16-25-23)31-11-5-8-27-9-12-30-13-10-27/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H,24,25,26).
What are the key properties of 6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 424.50 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 5330171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).