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

C26H29FN4O3 — CID 10183292

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C26H29FN4O3/c1-17-13-18-20(30-17)7-8-22(25(18)27)34-26-19-14-23(32-2)24(15-21(19)28-16-29-26)33-12-6-11-31-9-4-3-5-10-31/h7-8,13-16,30H,3-6,9-12H2,1-2H3
InChIKeyNZMWZMBJACHTSF-UHFFFAOYSA-N
MW464.54 g/mol
LogP5.61
Rot. Bonds8

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

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline (PubChem CID 10183292) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline.

Molecular Properties

Compound Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
PubChem CID10183292
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C26H29FN4O3/c1-17-13-18-20(30-17)7-8-22(25(18)27)34-26-19-14-23(32-2)24(15-21(19)28-16-29-26)33-12-6-11-31-9-4-3-5-10-31/h7-8,13-16,30H,3-6,9-12H2,1-2H3
InChIKeyNZMWZMBJACHTSF-UHFFFAOYSA-N
XLogP5.61
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 55.61
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline?
The IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline (CID 10183292) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline.
What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline?
The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCCC1.
What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline?
The InChIKey is NZMWZMBJACHTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-17-13-18-20(30-17)7-8-22(25(18)27)34-26-19-14-23(32-2)24(15-21(19)28-16-29-26)33-12-6-11-31-9-4-3-5-10-31/h7-8,13-16,30H,3-6,9-12H2,1-2H3.
What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline?
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline has a molecular weight of 464.54 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline is sourced from PubChem (CID 10183292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).