2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine

C29H36N2 — CID 71240462

IUPAC2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1cccc(CC)c1-c1cc(C)c2c(n1)CCN(c1cc(C(C)C)ccc1C)C2
InChIInChI=1S/C29H36N2/c1-7-22-10-9-11-23(8-2)29(22)27-16-21(6)25-18-31(15-14-26(25)30-27)28-17-24(19(3)4)13-12-20(28)5/h9-13,16-17,19H,7-8,14-15,18H2,1-6H3
InChIKeyAUNWKVLZWRYEBY-UHFFFAOYSA-N
MW412.62 g/mol
LogP7.18
Rot. Bonds5

About 2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine

2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 71240462) has the molecular formula C29H36N2 and a molecular weight of 412.62 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID71240462
Molecular FormulaC29H36N2
Molecular Weight412.62 g/mol
Exact Mass412.29
IUPAC Name2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1cccc(CC)c1-c1cc(C)c2c(n1)CCN(c1cc(C(C)C)ccc1C)C2
InChIInChI=1S/C29H36N2/c1-7-22-10-9-11-23(8-2)29(22)27-16-21(6)25-18-31(15-14-26(25)30-27)28-17-24(19(3)4)13-12-20(28)5/h9-13,16-17,19H,7-8,14-15,18H2,1-6H3
InChIKeyAUNWKVLZWRYEBY-UHFFFAOYSA-N
XLogP7.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.62
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 71240462) is 2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine is CCc1cccc(CC)c1-c1cc(C)c2c(n1)CCN(c1cc(C(C)C)ccc1C)C2.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is AUNWKVLZWRYEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2/c1-7-22-10-9-11-23(8-2)29(22)27-16-21(6)25-18-31(15-14-26(25)30-27)28-17-24(19(3)4)13-12-20(28)5/h9-13,16-17,19H,7-8,14-15,18H2,1-6H3.
What are the key properties of 2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine?
2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 412.62 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 71240462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).