2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

C27H33N3O2 — CID 108792819

IUPAC2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(CC)C3)cc1
InChIInChI=1S/C27H33N3O2/c1-3-5-6-9-18-32-21-14-12-20(13-15-21)28-27(31)26-22-10-7-8-11-24(22)29-25-16-17-30(4-2)19-23(25)26/h7-8,10-15H,3-6,9,16-19H2,1-2H3,(H,28,31)
InChIKeyOQPNTOKELDCQGN-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.82
Rot. Bonds9

About 2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 108792819) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
PubChem CID108792819
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(CC)C3)cc1
InChIInChI=1S/C27H33N3O2/c1-3-5-6-9-18-32-21-14-12-20(13-15-21)28-27(31)26-22-10-7-8-11-24(22)29-25-16-17-30(4-2)19-23(25)26/h7-8,10-15H,3-6,9,16-19H2,1-2H3,(H,28,31)
InChIKeyOQPNTOKELDCQGN-UHFFFAOYSA-N
XLogP5.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide with MolForge

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Related Compounds

butyl 4-[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]benzoate
CID 108804900
N-(3,4-dimethoxyphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804845
2-ethyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108733226
2-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804857
N-(2,6-difluorophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792780
N-(4-ethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2314335
N-(2-cyanophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792712
N-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 26209459
N-(4-chloro-2-pyridinyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792777
2-ethyl-N-(2-phenylsulfanylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792762
methyl 3-[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]-2-hydroxybenzoate
CID 108745839
2-ethyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 126771498

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The IUPAC name of 2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 108792819) is 2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is CCCCCCOc1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(CC)C3)cc1.
What is the InChIKey of 2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The InChIKey is OQPNTOKELDCQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-3-5-6-9-18-32-21-14-12-20(13-15-21)28-27(31)26-22-10-7-8-11-24(22)29-25-16-17-30(4-2)19-23(25)26/h7-8,10-15H,3-6,9,16-19H2,1-2H3,(H,28,31).
What are the key properties of 2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-hexoxyphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 108792819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).