6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine

C26H34N6O4 — CID 117090622

IUPAC6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NCCN3CCOCC3)c2cc1OC
InChIInChI=1S/C26H34N6O4/c1-33-23-17-21-22(18-24(23)34-2)29-26(30-25(21)27-7-8-31-9-13-35-14-10-31)28-19-3-5-20(6-4-19)32-11-15-36-16-12-32/h3-6,17-18H,7-16H2,1-2H3,(H2,27,28,29,30)
InChIKeyUJIZYKVVOAZXNA-UHFFFAOYSA-N
MW494.60 g/mol
LogP2.97
Rot. Bonds9

About 6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine

6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine (PubChem CID 117090622) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is 6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
PubChem CID117090622
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Name6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NCCN3CCOCC3)c2cc1OC
InChIInChI=1S/C26H34N6O4/c1-33-23-17-21-22(18-24(23)34-2)29-26(30-25(21)27-7-8-31-9-13-35-14-10-31)28-19-3-5-20(6-4-19)32-11-15-36-16-12-32/h3-6,17-18H,7-16H2,1-2H3,(H2,27,28,29,30)
InChIKeyUJIZYKVVOAZXNA-UHFFFAOYSA-N
XLogP2.97
TPSA93.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117079834
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
6,7-dimethoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171350702
1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117090671
2,3-dihydroxybutanedioic acid;6,7-dimethoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 25128005
2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
CID 164613491
6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69248088
7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 70977016
6,7-dimethoxy-4-N-[(4-methylcyclohexyl)methyl]-2-N-(4-morpholin-4-ylphenyl)quinoline-2,4-diamine
CID 163559169
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
CID 25018564
6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 117084289

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine (CID 117090622) is 6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine is COc1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NCCN3CCOCC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
The InChIKey is UJIZYKVVOAZXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-33-23-17-21-22(18-24(23)34-2)29-26(30-25(21)27-7-8-31-9-13-35-14-10-31)28-19-3-5-20(6-4-19)32-11-15-36-16-12-32/h3-6,17-18H,7-16H2,1-2H3,(H2,27,28,29,30).
What are the key properties of 6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine has a molecular weight of 494.60 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 117090622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).