4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline

C30H25FN4 — CID 50940108

IUPAC4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C30H25FN4/c1-19-28(25-6-4-5-13-33-25)34-26-17-22(31)8-9-23(26)29(19)35-18-30(2,3)24-10-7-21(16-27(24)35)20-11-14-32-15-12-20/h4-17H,18H2,1-3H3
InChIKeyQZMZREOJMMPRPH-UHFFFAOYSA-N
MW460.56 g/mol
LogP7.24
Rot. Bonds3

About 4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline

4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline (PubChem CID 50940108) has the molecular formula C30H25FN4 and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
PubChem CID50940108
Molecular FormulaC30H25FN4
Molecular Weight460.56 g/mol
Exact Mass460.21
IUPAC Name4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C30H25FN4/c1-19-28(25-6-4-5-13-33-25)34-26-17-22(31)8-9-23(26)29(19)35-18-30(2,3)24-10-7-21(16-27(24)35)20-11-14-32-15-12-20/h4-17H,18H2,1-3H3
InChIKeyQZMZREOJMMPRPH-UHFFFAOYSA-N
XLogP7.24
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline?
The IUPAC name of 4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline (CID 50940108) is 4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline?
The canonical SMILES for 4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline?
The InChIKey is QZMZREOJMMPRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4/c1-19-28(25-6-4-5-13-33-25)34-26-17-22(31)8-9-23(26)29(19)35-18-30(2,3)24-10-7-21(16-27(24)35)20-11-14-32-15-12-20/h4-17H,18H2,1-3H3.
What are the key properties of 4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline?
4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline has a molecular weight of 460.56 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline is sourced from PubChem (CID 50940108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).