[3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol

C34H25F2N3O — CID 141118634

IUPAC[3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol
SMILESCn1cc(-c2c(F)c(F)c(-c3cc4ccccc4n3C)c(-c3ccnc4ccccc34)c2CO)c2ccccc21
InChIInChI=1S/C34H25F2N3O/c1-38-18-24(22-11-5-8-14-28(22)38)31-25(19-40)30(23-15-16-37-26-12-6-4-10-21(23)26)32(34(36)33(31)35)29-17-20-9-3-7-13-27(20)39(29)2/h3-18,40H,19H2,1-2H3
InChIKeyNLNSMFUDROFYJH-UHFFFAOYSA-N
MW529.59 g/mol
LogP7.99
Rot. Bonds4

About [3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol

[3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol (PubChem CID 141118634) has the molecular formula C34H25F2N3O and a molecular weight of 529.59 g/mol. Its IUPAC name is [3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol.

Molecular Properties

Compound Name[3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol
PubChem CID141118634
Molecular FormulaC34H25F2N3O
Molecular Weight529.59 g/mol
Exact Mass529.20
IUPAC Name[3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol
SMILESCn1cc(-c2c(F)c(F)c(-c3cc4ccccc4n3C)c(-c3ccnc4ccccc34)c2CO)c2ccccc21
InChIInChI=1S/C34H25F2N3O/c1-38-18-24(22-11-5-8-14-28(22)38)31-25(19-40)30(23-15-16-37-26-12-6-4-10-21(23)26)32(34(36)33(31)35)29-17-20-9-3-7-13-27(20)39(29)2/h3-18,40H,19H2,1-2H3
InChIKeyNLNSMFUDROFYJH-UHFFFAOYSA-N
XLogP7.99
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.59
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol?
The IUPAC name of [3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol (CID 141118634) is [3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol.
What is the SMILES notation for [3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol?
The canonical SMILES for [3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol is Cn1cc(-c2c(F)c(F)c(-c3cc4ccccc4n3C)c(-c3ccnc4ccccc34)c2CO)c2ccccc21.
What is the InChIKey of [3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol?
The InChIKey is NLNSMFUDROFYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F2N3O/c1-38-18-24(22-11-5-8-14-28(22)38)31-25(19-40)30(23-15-16-37-26-12-6-4-10-21(23)26)32(34(36)33(31)35)29-17-20-9-3-7-13-27(20)39(29)2/h3-18,40H,19H2,1-2H3.
What are the key properties of [3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol?
[3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol has a molecular weight of 529.59 g/mol, XLogP of 7.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol is sourced from PubChem (CID 141118634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).