2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine

C23H29F2N3 — CID 134492391

IUPAC2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine
SMILESCC(C)N1Cc2ccc(CC(C)N3CCc4cnccc4C3)cc2C(F)(F)C1
InChIInChI=1S/C23H29F2N3/c1-16(2)28-14-21-5-4-18(11-22(21)23(24,25)15-28)10-17(3)27-9-7-19-12-26-8-6-20(19)13-27/h4-6,8,11-12,16-17H,7,9-10,13-15H2,1-3H3
InChIKeyRNUSJOZNTDYRSG-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.39
Rot. Bonds4

About 2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine

2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 134492391) has the molecular formula C23H29F2N3 and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID134492391
Molecular FormulaC23H29F2N3
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine
SMILESCC(C)N1Cc2ccc(CC(C)N3CCc4cnccc4C3)cc2C(F)(F)C1
InChIInChI=1S/C23H29F2N3/c1-16(2)28-14-21-5-4-18(11-22(21)23(24,25)15-28)10-17(3)27-9-7-19-12-26-8-6-20(19)13-27/h4-6,8,11-12,16-17H,7,9-10,13-15H2,1-3H3
InChIKeyRNUSJOZNTDYRSG-UHFFFAOYSA-N
XLogP4.39
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine (CID 134492391) is 2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine is CC(C)N1Cc2ccc(CC(C)N3CCc4cnccc4C3)cc2C(F)(F)C1.
What is the InChIKey of 2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is RNUSJOZNTDYRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3/c1-16(2)28-14-21-5-4-18(11-22(21)23(24,25)15-28)10-17(3)27-9-7-19-12-26-8-6-20(19)13-27/h4-6,8,11-12,16-17H,7,9-10,13-15H2,1-3H3.
What are the key properties of 2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine?
2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine has a molecular weight of 385.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinolin-6-yl)propan-2-yl]-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 134492391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).