5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide

C26H27ClN4O3 — CID 164915306

IUPAC5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C26H27ClN4O3/c27-20-5-3-4-18(14-20)16-29-9-1-2-11-33-12-13-34-26-22-8-10-30-17-23(22)21-7-6-19(25(28)32)15-24(21)31-26/h3-8,10,14-15,17,29H,1-2,9,11-13,16H2,(H2,28,32)
InChIKeyDTBNAWPAMVKNGW-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.50
Rot. Bonds12

About 5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide

5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide (PubChem CID 164915306) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide
PubChem CID164915306
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C26H27ClN4O3/c27-20-5-3-4-18(14-20)16-29-9-1-2-11-33-12-13-34-26-22-8-10-30-17-23(22)21-7-6-19(25(28)32)15-24(21)31-26/h3-8,10,14-15,17,29H,1-2,9,11-13,16H2,(H2,28,32)
InChIKeyDTBNAWPAMVKNGW-UHFFFAOYSA-N
XLogP4.50
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.50
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

US11866436, Example 116
CID 164915063
US11866436, Example 113
CID 164915148
US11866436, Example 46
CID 164915212
3-{7-Chloro-3-(3,5-dimethylphenyl)-4-[2-(piperidin-2-yl)ethoxy]quinolin-6-yl}benzamide
CID 24951597
N-(4-Amino-quinolin-6-yl)-2-(4-chloro-phenoxymethyl)-benzamide
CID 10668903
2,2-Dimethyl-3-(5-(2-methyl-4-(phenylcarbamoyl)quinolin-7-yl)pyridin-2-yloxy)propanoic acid
CID 46926794
5-(3-Chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57394448
US11866436, Example 107
CID 164915054
US11866436, Example 161
CID 164915087
US11866436, Example 154
CID 164915093
US11866436, Example 134
CID 164915097
US11866436, Example 114
CID 164915110

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide?
The IUPAC name of 5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide (CID 164915306) is 5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide.
What is the SMILES notation for 5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide?
The canonical SMILES for 5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide is NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide?
The InChIKey is DTBNAWPAMVKNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c27-20-5-3-4-18(14-20)16-29-9-1-2-11-33-12-13-34-26-22-8-10-30-17-23(22)21-7-6-19(25(28)32)15-24(21)31-26/h3-8,10,14-15,17,29H,1-2,9,11-13,16H2,(H2,28,32).
What are the key properties of 5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide?
5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 4.50, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(3-chlorophenyl)methylamino]butoxy]ethoxy]benzo[c][2,6]naphthyridine-8-carboxamide is sourced from PubChem (CID 164915306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).