10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C33H32FN5O2 — CID 71493179

IUPAC10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCc1ccc2c(c1)cc(C1C3=C(CC(C)(C)CC3=O)N(c3ccc(F)cc3)C3=C1C(=O)CC(C)(C)C3)c1nnnn12
InChIInChI=1S/C33H32FN5O2/c1-18-6-11-23-19(12-18)13-22(31-35-36-37-39(23)31)28-29-24(14-32(2,3)16-26(29)40)38(21-9-7-20(34)8-10-21)25-15-33(4,5)17-27(41)30(25)28/h6-13,28H,14-17H2,1-5H3
InChIKeyXEYNOGOGCJWHPS-UHFFFAOYSA-N
MW549.65 g/mol
LogP6.62
Rot. Bonds2

About 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 71493179) has the molecular formula C33H32FN5O2 and a molecular weight of 549.65 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID71493179
Molecular FormulaC33H32FN5O2
Molecular Weight549.65 g/mol
Exact Mass549.25
IUPAC Name10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCc1ccc2c(c1)cc(C1C3=C(CC(C)(C)CC3=O)N(c3ccc(F)cc3)C3=C1C(=O)CC(C)(C)C3)c1nnnn12
InChIInChI=1S/C33H32FN5O2/c1-18-6-11-23-19(12-18)13-22(31-35-36-37-39(23)31)28-29-24(14-32(2,3)16-26(29)40)38(21-9-7-20(34)8-10-21)25-15-33(4,5)17-27(41)30(25)28/h6-13,28H,14-17H2,1-5H3
InChIKeyXEYNOGOGCJWHPS-UHFFFAOYSA-N
XLogP6.62
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.65
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 71493179) is 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is Cc1ccc2c(c1)cc(C1C3=C(CC(C)(C)CC3=O)N(c3ccc(F)cc3)C3=C1C(=O)CC(C)(C)C3)c1nnnn12.
What is the InChIKey of 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is XEYNOGOGCJWHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN5O2/c1-18-6-11-23-19(12-18)13-22(31-35-36-37-39(23)31)28-29-24(14-32(2,3)16-26(29)40)38(21-9-7-20(34)8-10-21)25-15-33(4,5)17-27(41)30(25)28/h6-13,28H,14-17H2,1-5H3.
What are the key properties of 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 549.65 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 71493179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).