N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide

C21H17N3O2 — CID 100646487

IUPACN-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(C)n1
InChIInChI=1S/C21H17N3O2/c1-13-18(9-10-19(23-13)26-2)24-21(25)17-12-14-6-3-4-7-15(14)16-8-5-11-22-20(16)17/h3-12H,1-2H3,(H,24,25)
InChIKeyJAFGWZPMKJCTBI-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.35
Rot. Bonds3

About N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide

N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide (PubChem CID 100646487) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide
PubChem CID100646487
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(C)n1
InChIInChI=1S/C21H17N3O2/c1-13-18(9-10-19(23-13)26-2)24-21(25)17-12-14-6-3-4-7-15(14)16-8-5-11-22-20(16)17/h3-12H,1-2H3,(H,24,25)
InChIKeyJAFGWZPMKJCTBI-UHFFFAOYSA-N
XLogP4.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide
CID 71883734
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
CID 51090073
N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide
CID 60528342
2-fluoro-4-methoxy-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 71970253
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide
CID 71894350
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide
CID 71891755
6-methoxy-N-naphthalen-1-ylpyridine-2-carboxamide
CID 84580589
2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide
CID 26823129
N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55753701
N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide
CID 119033670

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide (CID 100646487) is N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(C)n1.
What is the InChIKey of N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide?
The InChIKey is JAFGWZPMKJCTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-18(9-10-19(23-13)26-2)24-21(25)17-12-14-6-3-4-7-15(14)16-8-5-11-22-20(16)17/h3-12H,1-2H3,(H,24,25).
What are the key properties of N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide?
N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 100646487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).