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

C26H27F3N4O3 — CID 22030800

IUPAC6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
SMILESCOc1cc2c(Oc3cc4cc[nH]c4cc3C(F)(F)F)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C26H27F3N4O3/c1-34-23-13-18-21(15-24(23)35-11-5-10-33-8-3-2-4-9-33)31-16-32-25(18)36-22-12-17-6-7-30-20(17)14-19(22)26(27,28)29/h6-7,12-16,30H,2-5,8-11H2,1H3
InChIKeyPXIVXJNSIQJJGV-UHFFFAOYSA-N
MW500.52 g/mol
LogP6.19
Rot. Bonds8

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

6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline (PubChem CID 22030800) has the molecular formula C26H27F3N4O3 and a molecular weight of 500.52 g/mol. Its IUPAC name is 6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline.

Molecular Properties

Compound Name6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
PubChem CID22030800
Molecular FormulaC26H27F3N4O3
Molecular Weight500.52 g/mol
Exact Mass500.20
IUPAC Name6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
SMILESCOc1cc2c(Oc3cc4cc[nH]c4cc3C(F)(F)F)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C26H27F3N4O3/c1-34-23-13-18-21(15-24(23)35-11-5-10-33-8-3-2-4-9-33)31-16-32-25(18)36-22-12-17-6-7-30-20(17)14-19(22)26(27,28)29/h6-7,12-16,30H,2-5,8-11H2,1H3
InChIKeyPXIVXJNSIQJJGV-UHFFFAOYSA-N
XLogP6.19
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.52
LogP ≤ 56.19
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

4-[(6-fluoro-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030676
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030572
4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030853
4-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22030798
7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 154458074
6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 22030540
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 22030671
6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxylic acid
CID 67520430
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
1-[2-chloro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 164900961
4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 91423965

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline?
The IUPAC name of 6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline (CID 22030800) is 6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline.
What is the SMILES notation for 6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline?
The canonical SMILES for 6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline is COc1cc2c(Oc3cc4cc[nH]c4cc3C(F)(F)F)ncnc2cc1OCCCN1CCCCC1.
What is the InChIKey of 6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline?
The InChIKey is PXIVXJNSIQJJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O3/c1-34-23-13-18-21(15-24(23)35-11-5-10-33-8-3-2-4-9-33)31-16-32-25(18)36-22-12-17-6-7-30-20(17)14-19(22)26(27,28)29/h6-7,12-16,30H,2-5,8-11H2,1H3.
What are the key properties of 6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline?
6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline has a molecular weight of 500.52 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline is sourced from PubChem (CID 22030800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).