N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide

C22H19N3O3 — CID 121363732

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)c(=O)[nH]c2cnccc23)c1
InChIInChI=1S/C22H19N3O3/c1-13(14-4-3-5-16(10-14)28-2)24-21(26)15-6-7-17-18-8-9-23-12-20(18)25-22(27)19(17)11-15/h3-13H,1-2H3,(H,24,26)(H,25,27)/t13-/m1/s1
InChIKeyLKMNKIPZENZTEM-CYBMUJFWSA-N
MW373.41 g/mol
LogP3.58
Rot. Bonds4

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide (PubChem CID 121363732) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide
PubChem CID121363732
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)c(=O)[nH]c2cnccc23)c1
InChIInChI=1S/C22H19N3O3/c1-13(14-4-3-5-16(10-14)28-2)24-21(26)15-6-7-17-18-8-9-23-12-20(18)25-22(27)19(17)11-15/h3-13H,1-2H3,(H,24,26)(H,25,27)/t13-/m1/s1
InChIKeyLKMNKIPZENZTEM-CYBMUJFWSA-N
XLogP3.58
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide (CID 121363732) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide is COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)c(=O)[nH]c2cnccc23)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide?
The InChIKey is LKMNKIPZENZTEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-13(14-4-3-5-16(10-14)28-2)24-21(26)15-6-7-17-18-8-9-23-12-20(18)25-22(27)19(17)11-15/h3-13H,1-2H3,(H,24,26)(H,25,27)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 121363732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).