N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide

C23H23N5O — CID 119032835

IUPACN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
SMILESCn1cc(N2CCCC(NC(=O)c3cc4ccccc4c4cccnc34)C2)cn1
InChIInChI=1S/C23H23N5O/c1-27-15-18(13-25-27)28-11-5-7-17(14-28)26-23(29)21-12-16-6-2-3-8-19(16)20-9-4-10-24-22(20)21/h2-4,6,8-10,12-13,15,17H,5,7,11,14H2,1H3,(H,26,29)
InChIKeyLQSRAYQXJOMGMX-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.52
Rot. Bonds3

About N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide

N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide (PubChem CID 119032835) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
PubChem CID119032835
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
SMILESCn1cc(N2CCCC(NC(=O)c3cc4ccccc4c4cccnc34)C2)cn1
InChIInChI=1S/C23H23N5O/c1-27-15-18(13-25-27)28-11-5-7-17(14-28)26-23(29)21-12-16-6-2-3-8-19(16)20-9-4-10-24-22(20)21/h2-4,6,8-10,12-13,15,17H,5,7,11,14H2,1H3,(H,26,29)
InChIKeyLQSRAYQXJOMGMX-UHFFFAOYSA-N
XLogP3.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
CID 51090073
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 94886643
7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide
CID 126766818
N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride
CID 119477643
N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133330173
N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide
CID 119033670
7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide
CID 124885580
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 124590300
N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide
CID 71895819
6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide
CID 167744210
1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 124590432
N-[(3R)-2-oxopiperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 95272465

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide (CID 119032835) is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide is Cn1cc(N2CCCC(NC(=O)c3cc4ccccc4c4cccnc34)C2)cn1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide?
The InChIKey is LQSRAYQXJOMGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-27-15-18(13-25-27)28-11-5-7-17(14-28)26-23(29)21-12-16-6-2-3-8-19(16)20-9-4-10-24-22(20)21/h2-4,6,8-10,12-13,15,17H,5,7,11,14H2,1H3,(H,26,29).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide?
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 119032835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).