2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide

C20H13N3O3 — CID 134950470

IUPAC2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1c([N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C20H13N3O3/c24-20(22-16-9-3-6-14-7-4-12-21-19(14)16)18-15-8-2-1-5-13(15)10-11-17(18)23(25)26/h1-12H,(H,22,24)
InChIKeyFYHVPYRWTRCYKX-UHFFFAOYSA-N
MW343.34 g/mol
LogP4.55
Rot. Bonds3

About 2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide

2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide (PubChem CID 134950470) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide
PubChem CID134950470
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1c([N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C20H13N3O3/c24-20(22-16-9-3-6-14-7-4-12-21-19(14)16)18-15-8-2-1-5-13(15)10-11-17(18)23(25)26/h1-12H,(H,22,24)
InChIKeyFYHVPYRWTRCYKX-UHFFFAOYSA-N
XLogP4.55
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 132837940
2-nitro-N-quinolin-8-ylacetamide
CID 108814489
5-nitro-N-quinolin-8-ylfuran-2-carboxamide
CID 935321
2-bromo-6-hydroxy-N-quinolin-8-ylbenzamide
CID 174610823
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide
CID 1332037
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963
(2-nitronaphthalene-1-carbonyl) 2-nitronaphthalene-1-carboxylate
CID 87755782
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
3-nitro-2-(quinolin-8-ylamino)benzoic acid
CID 11001355

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide?
The IUPAC name of 2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide (CID 134950470) is 2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide.
What is the SMILES notation for 2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide?
The canonical SMILES for 2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide is O=C(Nc1cccc2cccnc12)c1c([N+](=O)[O-])ccc2ccccc12.
What is the InChIKey of 2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide?
The InChIKey is FYHVPYRWTRCYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c24-20(22-16-9-3-6-14-7-4-12-21-19(14)16)18-15-8-2-1-5-13(15)10-11-17(18)23(25)26/h1-12H,(H,22,24).
What are the key properties of 2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide?
2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 134950470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).