[2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate

C34H28N2O3 — CID 19057318

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C34H28N2O3/c37-32(27-17-15-26(16-18-27)25-11-5-2-6-12-25)23-39-34(38)33-28-13-7-8-14-30(28)35-31-19-20-36(22-29(31)33)21-24-9-3-1-4-10-24/h1-18H,19-23H2
InChIKeyNUWKMSONNBXQEL-UHFFFAOYSA-N
MW512.61 g/mol
LogP6.50
Rot. Bonds7

About [2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate

[2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate (PubChem CID 19057318) has the molecular formula C34H28N2O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
PubChem CID19057318
Molecular FormulaC34H28N2O3
Molecular Weight512.61 g/mol
Exact Mass512.21
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C34H28N2O3/c37-32(27-17-15-26(16-18-27)25-11-5-2-6-12-25)23-39-34(38)33-28-13-7-8-14-30(28)35-31-19-20-36(22-29(31)33)21-24-9-3-1-4-10-24/h1-18H,19-23H2
InChIKeyNUWKMSONNBXQEL-UHFFFAOYSA-N
XLogP6.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23999629
[2-oxo-2-(4-phenylphenyl)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2282653
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23999332
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23887561
[2-(4-methoxyphenyl)-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 2424741
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23915712
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23993274
[2-(benzylamino)-2-oxoethyl] 2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23773653
[1-(2-carbamoylanilino)-1-oxopropan-2-yl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23744709
[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23802767
[2-(4-ethylphenyl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3394606
(2-oxo-2-thiophen-2-ylethyl) 2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23728220

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate (CID 19057318) is [2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate is O=C(COC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?
The InChIKey is NUWKMSONNBXQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O3/c37-32(27-17-15-26(16-18-27)25-11-5-2-6-12-25)23-39-34(38)33-28-13-7-8-14-30(28)35-31-19-20-36(22-29(31)33)21-24-9-3-1-4-10-24/h1-18H,19-23H2.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?
[2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate has a molecular weight of 512.61 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate is sourced from PubChem (CID 19057318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).