[7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane

C27H31FN3O2P — CID 90917695

IUPAC[7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane
SMILESCc1cc2c(F)c(Oc3ncnc4cc(OCCCCCC5CCCC5)c(P)cc34)ccc2[nH]1
InChIInChI=1S/C27H31FN3O2P/c1-17-13-19-21(31-17)10-11-23(26(19)28)33-27-20-14-25(34)24(15-22(20)29-16-30-27)32-12-6-2-3-7-18-8-4-5-9-18/h10-11,13-16,18,31H,2-9,12,34H2,1H3
InChIKeyAMWZEUJNFRRJCL-UHFFFAOYSA-N
MW479.54 g/mol
LogP6.98
Rot. Bonds9

About [7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane

[7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane (PubChem CID 90917695) has the molecular formula C27H31FN3O2P and a molecular weight of 479.54 g/mol. Its IUPAC name is [7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane.

Molecular Properties

Compound Name[7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane
PubChem CID90917695
Molecular FormulaC27H31FN3O2P
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC Name[7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane
SMILESCc1cc2c(F)c(Oc3ncnc4cc(OCCCCCC5CCCC5)c(P)cc34)ccc2[nH]1
InChIInChI=1S/C27H31FN3O2P/c1-17-13-19-21(31-17)10-11-23(26(19)28)33-27-20-14-25(34)24(15-22(20)29-16-30-27)32-12-6-2-3-7-18-8-4-5-9-18/h10-11,13-16,18,31H,2-9,12,34H2,1H3
InChIKeyAMWZEUJNFRRJCL-UHFFFAOYSA-N
XLogP6.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[2-(1-methylpiperidin-4-yl)ethoxy]quinazoline
CID 10183293
5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid
CID 147510132
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-methoxy-6-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]quinazoline
CID 67019243
(2S)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 68840024
N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-N-(methylidene-λ3-iodanyl)methanamine
CID 163654120
4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine
CID 156634131
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
CID 141061973
4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)butan-1-one
CID 85469266
7-(3-bromopropoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-ol;1-[4-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]ethanone
CID 159784671
4-chloro-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline;4-fluoro-2-methyl-1H-indol-5-ol;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 162118251
[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
CID 151563575
4-[[5-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]oxy-4-fluoro-1H-indol-2-yl]methoxy]-N-methylbutan-1-amine
CID 138465603

Frequently Asked Questions

What is the IUPAC name of [7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane?
The IUPAC name of [7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane (CID 90917695) is [7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane.
What is the SMILES notation for [7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane?
The canonical SMILES for [7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane is Cc1cc2c(F)c(Oc3ncnc4cc(OCCCCCC5CCCC5)c(P)cc34)ccc2[nH]1.
What is the InChIKey of [7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane?
The InChIKey is AMWZEUJNFRRJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN3O2P/c1-17-13-19-21(31-17)10-11-23(26(19)28)33-27-20-14-25(34)24(15-22(20)29-16-30-27)32-12-6-2-3-7-18-8-4-5-9-18/h10-11,13-16,18,31H,2-9,12,34H2,1H3.
What are the key properties of [7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane?
[7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane has a molecular weight of 479.54 g/mol, XLogP of 6.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane is sourced from PubChem (CID 90917695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).