4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine

C29H29FN4O — CID 50939209

IUPAC4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2cccnc2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C29H29FN4O/c1-19-27(20-5-4-10-31-17-20)32-25-15-21(30)6-8-23(25)28(19)34-18-29(2,3)24-9-7-22(16-26(24)34)33-11-13-35-14-12-33/h4-10,15-17H,11-14,18H2,1-3H3
InChIKeyIGGNGGDYLDZKTR-UHFFFAOYSA-N
MW468.58 g/mol
LogP6.01
Rot. Bonds3

About 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50939209) has the molecular formula C29H29FN4O and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID50939209
Molecular FormulaC29H29FN4O
Molecular Weight468.58 g/mol
Exact Mass468.23
IUPAC Name4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1c(-c2cccnc2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C29H29FN4O/c1-19-27(20-5-4-10-31-17-20)32-25-15-21(30)6-8-23(25)28(19)34-18-29(2,3)24-9-7-22(16-26(24)34)33-11-13-35-14-12-33/h4-10,15-17H,11-14,18H2,1-3H3
InChIKeyIGGNGGDYLDZKTR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50939209) is 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1c(-c2cccnc2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is IGGNGGDYLDZKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O/c1-19-27(20-5-4-10-31-17-20)32-25-15-21(30)6-8-23(25)28(19)34-18-29(2,3)24-9-7-22(16-26(24)34)33-11-13-35-14-12-33/h4-10,15-17H,11-14,18H2,1-3H3.
What are the key properties of 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-[1-(7-fluoro-3-methyl-2-pyridin-3-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-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50939209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).