[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol

C29H29FN4O3 — CID 67285457

IUPAC[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C29H29FN4O3/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-35,18-36)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15,35-36H,10-13,16-18H2,1H3
InChIKeyGHDPSZSZAZSGTG-UHFFFAOYSA-N
MW500.57 g/mol
LogP3.96
Rot. Bonds5

About [1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol

[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol (PubChem CID 67285457) has the molecular formula C29H29FN4O3 and a molecular weight of 500.57 g/mol. Its IUPAC name is [1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol.

Molecular Properties

Compound Name[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol
PubChem CID67285457
Molecular FormulaC29H29FN4O3
Molecular Weight500.57 g/mol
Exact Mass500.22
IUPAC Name[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C29H29FN4O3/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-35,18-36)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15,35-36H,10-13,16-18H2,1H3
InChIKeyGHDPSZSZAZSGTG-UHFFFAOYSA-N
XLogP3.96
TPSA81.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.57
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol?
The IUPAC name of [1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol (CID 67285457) is [1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol.
What is the SMILES notation for [1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol?
The canonical SMILES for [1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of [1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol?
The InChIKey is GHDPSZSZAZSGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O3/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-35,18-36)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15,35-36H,10-13,16-18H2,1H3.
What are the key properties of [1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol?
[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol has a molecular weight of 500.57 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3-(hydroxymethyl)-6-morpholin-4-yl-2H-indol-3-yl]methanol is sourced from PubChem (CID 67285457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).