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

C25H25F3N4O3 — CID 22030572

IUPAC6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]c(C(F)(F)F)cc4c3)ncnc2cc1OCCCN1CCCC1
InChIInChI=1S/C25H25F3N4O3/c1-33-21-13-18-20(14-22(21)34-10-4-9-32-7-2-3-8-32)29-15-30-24(18)35-17-5-6-19-16(11-17)12-23(31-19)25(26,27)28/h5-6,11-15,31H,2-4,7-10H2,1H3
InChIKeyXVERRHVZSLWUFT-UHFFFAOYSA-N
MW486.49 g/mol
LogP5.80
Rot. Bonds8

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

6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline (PubChem CID 22030572) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline.

Molecular Properties

Compound Name6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
PubChem CID22030572
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Name6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]c(C(F)(F)F)cc4c3)ncnc2cc1OCCCN1CCCC1
InChIInChI=1S/C25H25F3N4O3/c1-33-21-13-18-20(14-22(21)34-10-4-9-32-7-2-3-8-32)29-15-30-24(18)35-17-5-6-19-16(11-17)12-23(31-19)25(26,27)28/h5-6,11-15,31H,2-4,7-10H2,1H3
InChIKeyXVERRHVZSLWUFT-UHFFFAOYSA-N
XLogP5.80
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.49
LogP ≤ 55.80
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-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 22030540
4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030853
6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030800
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-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxylic acid
CID 67520430
1-[2-chloro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 164900961
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 118607473
4-[3-[4-(1,2-dimethylindol-5-yl)oxy-6-methoxyquinazolin-7-yl]oxypropyl]morpholine
CID 22030747
4-[(6-fluoro-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030676
6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
CID 57218113
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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline?
The IUPAC name of 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline (CID 22030572) is 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline.
What is the SMILES notation for 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline?
The canonical SMILES for 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline is COc1cc2c(Oc3ccc4[nH]c(C(F)(F)F)cc4c3)ncnc2cc1OCCCN1CCCC1.
What is the InChIKey of 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline?
The InChIKey is XVERRHVZSLWUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c1-33-21-13-18-20(14-22(21)34-10-4-9-32-7-2-3-8-32)29-15-30-24(18)35-17-5-6-19-16(11-17)12-23(31-19)25(26,27)28/h5-6,11-15,31H,2-4,7-10H2,1H3.
What are the key properties of 6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline?
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline has a molecular weight of 486.49 g/mol, XLogP of 5.80, 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-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline is sourced from PubChem (CID 22030572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).