5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide

C19H22N4O3 — CID 164915016

IUPAC5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNCCCCOCCOc1nc2cc(C(N)=O)ccc2c2cnccc12
InChIInChI=1S/C19H22N4O3/c20-6-1-2-8-25-9-10-26-19-15-5-7-22-12-16(15)14-4-3-13(18(21)24)11-17(14)23-19/h3-5,7,11-12H,1-2,6,8-10,20H2,(H2,21,24)
InChIKeyNJPZCZLICWDPJS-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.02
Rot. Bonds9

About 5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide

5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide (PubChem CID 164915016) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide
PubChem CID164915016
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNCCCCOCCOc1nc2cc(C(N)=O)ccc2c2cnccc12
InChIInChI=1S/C19H22N4O3/c20-6-1-2-8-25-9-10-26-19-15-5-7-22-12-16(15)14-4-3-13(18(21)24)11-17(14)23-19/h3-5,7,11-12H,1-2,6,8-10,20H2,(H2,21,24)
InChIKeyNJPZCZLICWDPJS-UHFFFAOYSA-N
XLogP2.02
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Dibucaine
CID 3025
Dibucaine Hydrochloride
CID 521951
US11866436, Example 116
CID 164915063
US11866436, Example 93
CID 164915133
US11866436, Example 132
CID 164915166
Quinoline derivative 3
CID 89554768
(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[9-(8-carboxybenzo[c][2,6]naphthyridin-5-yl)oxynonanoylamino]propanoyl]amino]propanoyl]amino]butanedioic acid
CID 137633854
5-[9-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-5-amino-1-carboxypentyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-9-oxononoxy]benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 137651463
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[9-(8-carboxybenzo[c][2,6]naphthyridin-5-yl)oxynonanoylamino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid
CID 137660029
N-cyclohexyl-2-isopropoxy-4-quinolinecarboxamide
CID 891858
N-(2-methoxybenzyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3554156
2-(2-ethoxyphenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6874743

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide?
The IUPAC name of 5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide (CID 164915016) is 5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide.
What is the SMILES notation for 5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide?
The canonical SMILES for 5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide is NCCCCOCCOc1nc2cc(C(N)=O)ccc2c2cnccc12.
What is the InChIKey of 5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide?
The InChIKey is NJPZCZLICWDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c20-6-1-2-8-25-9-10-26-19-15-5-7-22-12-16(15)14-4-3-13(18(21)24)11-17(14)23-19/h3-5,7,11-12H,1-2,6,8-10,20H2,(H2,21,24).
What are the key properties of 5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide?
5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-aminobutoxy)ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide is sourced from PubChem (CID 164915016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).