N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide

C17H16N2O2 — CID 110893927

IUPACN-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
SMILESCC(O)CNC(=O)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C17H16N2O2/c1-11(20)10-19-17(21)15-9-12-5-2-3-6-13(12)14-7-4-8-18-16(14)15/h2-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyNVSLJNZYYORMBI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.50
Rot. Bonds3

About N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide

N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide (PubChem CID 110893927) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
PubChem CID110893927
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
SMILESCC(O)CNC(=O)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C17H16N2O2/c1-11(20)10-19-17(21)15-9-12-5-2-3-6-13(12)14-7-4-8-18-16(14)15/h2-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyNVSLJNZYYORMBI-UHFFFAOYSA-N
XLogP2.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide
CID 60610166
N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55753701
N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55754135
N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide
CID 78896749
N-(2-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474928
N-(2-hydroxypropyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
CID 11595469
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 56517786
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401
N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide
CID 55786854

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide (CID 110893927) is N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide is CC(O)CNC(=O)c1cc2ccccc2c2cccnc12.
What is the InChIKey of N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide?
The InChIKey is NVSLJNZYYORMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(20)10-19-17(21)15-9-12-5-2-3-6-13(12)14-7-4-8-18-16(14)15/h2-9,11,20H,10H2,1H3,(H,19,21).
What are the key properties of N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide?
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 110893927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).