9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one

C21H19N3O — CID 58168355

IUPAC9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one
SMILESCCN(Cc1ccccc1)c1ccc2c(=O)[nH]c3ncccc3c2c1
InChIInChI=1S/C21H19N3O/c1-2-24(14-15-7-4-3-5-8-15)16-10-11-18-19(13-16)17-9-6-12-22-20(17)23-21(18)25/h3-13H,2,14H2,1H3,(H,22,23,25)
InChIKeyHIEHXROMVRGNHG-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.10
Rot. Bonds4

About 9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one

9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 58168355) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID58168355
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one
SMILESCCN(Cc1ccccc1)c1ccc2c(=O)[nH]c3ncccc3c2c1
InChIInChI=1S/C21H19N3O/c1-2-24(14-15-7-4-3-5-8-15)16-10-11-18-19(13-16)17-9-6-12-22-20(17)23-21(18)25/h3-13H,2,14H2,1H3,(H,22,23,25)
InChIKeyHIEHXROMVRGNHG-UHFFFAOYSA-N
XLogP4.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[(3-fluorophenyl)methylamino]-5H-benzo[c][1,8]naphthyridin-6-one
CID 58167977
4-[[(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)amino]methyl]benzoic acid
CID 58167949
9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168015
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430366
4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201321
methyl 2-amino-5-[benzyl(ethyl)amino]benzoate
CID 61307302
3-[3-[benzyl(methyl)amino]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 3245707
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210168
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863

Frequently Asked Questions

What is the IUPAC name of 9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one (CID 58168355) is 9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one is CCN(Cc1ccccc1)c1ccc2c(=O)[nH]c3ncccc3c2c1.
What is the InChIKey of 9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is HIEHXROMVRGNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-2-24(14-15-7-4-3-5-8-15)16-10-11-18-19(13-16)17-9-6-12-22-20(17)23-21(18)25/h3-13H,2,14H2,1H3,(H,22,23,25).
What are the key properties of 9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one?
9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 329.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[benzyl(ethyl)amino]-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 58168355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).