6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline

C26H30N4O3 — CID 22030540

IUPAC6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C26H30N4O3/c1-18-13-19-14-20(7-8-22(19)29-18)33-26-21-15-24(31-2)25(16-23(21)27-17-28-26)32-12-6-11-30-9-4-3-5-10-30/h7-8,13-17,29H,3-6,9-12H2,1-2H3
InChIKeyBMKBXNMTWNYODF-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.48
Rot. Bonds8

About 6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline

6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline (PubChem CID 22030540) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline.

Molecular Properties

Compound Name6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
PubChem CID22030540
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C26H30N4O3/c1-18-13-19-14-20(7-8-22(19)29-18)33-26-21-15-24(31-2)25(16-23(21)27-17-28-26)32-12-6-11-30-9-4-3-5-10-30/h7-8,13-17,29H,3-6,9-12H2,1-2H3
InChIKeyBMKBXNMTWNYODF-UHFFFAOYSA-N
XLogP5.48
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030572
4-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22030798
4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030853
6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxylic acid
CID 67520430
6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
CID 57218113
7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 154458074
4-[3-[4-(1,2-dimethylindol-5-yl)oxy-6-methoxyquinazolin-7-yl]oxypropyl]morpholine
CID 22030747
6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030800
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-methoxy-6-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]quinazoline
CID 67019243
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813849
[7-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl] 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 146508405

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline?
The IUPAC name of 6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline (CID 22030540) is 6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline.
What is the SMILES notation for 6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline?
The canonical SMILES for 6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCCCN1CCCCC1.
What is the InChIKey of 6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline?
The InChIKey is BMKBXNMTWNYODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-18-13-19-14-20(7-8-22(19)29-18)33-26-21-15-24(31-2)25(16-23(21)27-17-28-26)32-12-6-11-30-9-4-3-5-10-30/h7-8,13-17,29H,3-6,9-12H2,1-2H3.
What are the key properties of 6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline?
6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline has a molecular weight of 446.55 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline is sourced from PubChem (CID 22030540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).