7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione

C30H31NO2 — CID 23773213

IUPAC7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCC(C)c1ccc(C2CC(=O)N(c3ccc4ccccc4c3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C30H31NO2/c1-19(2)20-9-11-22(12-10-20)25-16-28(33)31(26-17-30(3,4)18-27(32)29(25)26)24-14-13-21-7-5-6-8-23(21)15-24/h5-15,19,25H,16-18H2,1-4H3
InChIKeyNLOMWNQITIXXOZ-UHFFFAOYSA-N
MW437.58 g/mol
LogP7.13
Rot. Bonds3

About 7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione

7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 23773213) has the molecular formula C30H31NO2 and a molecular weight of 437.58 g/mol. Its IUPAC name is 7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID23773213
Molecular FormulaC30H31NO2
Molecular Weight437.58 g/mol
Exact Mass437.24
IUPAC Name7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCC(C)c1ccc(C2CC(=O)N(c3ccc4ccccc4c3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C30H31NO2/c1-19(2)20-9-11-22(12-10-20)25-16-28(33)31(26-17-30(3,4)18-27(32)29(25)26)24-14-13-21-7-5-6-8-23(21)15-24/h5-15,19,25H,16-18H2,1-4H3
InChIKeyNLOMWNQITIXXOZ-UHFFFAOYSA-N
XLogP7.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 23773213) is 7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is CC(C)c1ccc(C2CC(=O)N(c3ccc4ccccc4c3)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is NLOMWNQITIXXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2/c1-19(2)20-9-11-22(12-10-20)25-16-28(33)31(26-17-30(3,4)18-27(32)29(25)26)24-14-13-21-7-5-6-8-23(21)15-24/h5-15,19,25H,16-18H2,1-4H3.
What are the key properties of 7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?
7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 437.58 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-naphthalen-2-yl-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 23773213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).