N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide

C18H14N4O — CID 51090073

IUPACN-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
SMILESCn1cc(NC(=O)c2cc3ccccc3c3cccnc23)cn1
InChIInChI=1S/C18H14N4O/c1-22-11-13(10-20-22)21-18(23)16-9-12-5-2-3-6-14(12)15-7-4-8-19-17(15)16/h2-11H,1H3,(H,21,23)
InChIKeyMOXPOTDUQZZSJL-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.37
Rot. Bonds2

About N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide

N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide (PubChem CID 51090073) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
PubChem CID51090073
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC NameN-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
SMILESCn1cc(NC(=O)c2cc3ccccc3c3cccnc23)cn1
InChIInChI=1S/C18H14N4O/c1-22-11-13(10-20-22)21-18(23)16-9-12-5-2-3-6-14(12)15-7-4-8-19-17(15)16/h2-11H,1H3,(H,21,23)
InChIKeyMOXPOTDUQZZSJL-UHFFFAOYSA-N
XLogP3.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.37
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-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 119032835
N-[4-(pyrazol-1-ylmethyl)phenyl]benzo[f]quinoline-5-carboxamide
CID 55970824
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide
CID 71894350
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide
CID 100646487
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzo[f]quinoline-5-carboxamide
CID 55699628
N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
CID 75469956
N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide
CID 119033670
N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide
CID 71883734
N-(1-methylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 32605407
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 56517786

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide (CID 51090073) is N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide is Cn1cc(NC(=O)c2cc3ccccc3c3cccnc23)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide?
The InChIKey is MOXPOTDUQZZSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-22-11-13(10-20-22)21-18(23)16-9-12-5-2-3-6-14(12)15-7-4-8-19-17(15)16/h2-11H,1H3,(H,21,23).
What are the key properties of N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide?
N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 51090073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).