4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine

C29H29FN4O — CID 50939208

IUPAC4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2ccccn2)nc2c(F)cccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C29H29FN4O/c1-19-26(24-9-4-5-12-31-24)32-27-21(7-6-8-23(27)30)28(19)34-18-29(2,3)22-11-10-20(17-25(22)34)33-13-15-35-16-14-33/h4-12,17H,13-16,18H2,1-3H3
InChIKeyCZFZJNOIDHBCGR-UHFFFAOYSA-N
MW468.58 g/mol
LogP6.01
Rot. Bonds3

About 4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50939208) has the molecular formula C29H29FN4O and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50939208
Molecular FormulaC29H29FN4O
Molecular Weight468.58 g/mol
Exact Mass468.23
IUPAC Name4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2ccccn2)nc2c(F)cccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C29H29FN4O/c1-19-26(24-9-4-5-12-31-24)32-27-21(7-6-8-23(27)30)28(19)34-18-29(2,3)22-11-10-20(17-25(22)34)33-13-15-35-16-14-33/h4-12,17H,13-16,18H2,1-3H3
InChIKeyCZFZJNOIDHBCGR-UHFFFAOYSA-N
XLogP6.01
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50939208) is 4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1c(-c2ccccn2)nc2c(F)cccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is CZFZJNOIDHBCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O/c1-19-26(24-9-4-5-12-31-24)32-27-21(7-6-8-23(27)30)28(19)34-18-29(2,3)22-11-10-20(17-25(22)34)33-13-15-35-16-14-33/h4-12,17H,13-16,18H2,1-3H3.
What are the key properties of 4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 468.58 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(8-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50939208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).