N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide

C21H22N2O2 — CID 119033670

IUPACN-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide
SMILESCC1CC(NC(=O)c2cc3ccccc3c3cccnc23)CC(C)O1
InChIInChI=1S/C21H22N2O2/c1-13-10-16(11-14(2)25-13)23-21(24)19-12-15-6-3-4-7-17(15)18-8-5-9-22-20(18)19/h3-9,12-14,16H,10-11H2,1-2H3,(H,23,24)
InChIKeyNPTVNMDQIPCEFO-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.07
Rot. Bonds2

About N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide

N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide (PubChem CID 119033670) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide
PubChem CID119033670
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide
SMILESCC1CC(NC(=O)c2cc3ccccc3c3cccnc23)CC(C)O1
InChIInChI=1S/C21H22N2O2/c1-13-10-16(11-14(2)25-13)23-21(24)19-12-15-6-3-4-7-17(15)18-8-5-9-22-20(18)19/h3-9,12-14,16H,10-11H2,1-2H3,(H,23,24)
InChIKeyNPTVNMDQIPCEFO-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
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-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride
CID 119477643
N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide
CID 71895819
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 119032835
N-[(3R)-2-oxopiperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 95272465
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 94886643
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
CID 51090073
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401
N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide
CID 71883734
N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide
CID 60610166
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825
N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide
CID 78896749

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide (CID 119033670) is N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide is CC1CC(NC(=O)c2cc3ccccc3c3cccnc23)CC(C)O1.
What is the InChIKey of N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide?
The InChIKey is NPTVNMDQIPCEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-10-16(11-14(2)25-13)23-21(24)19-12-15-6-3-4-7-17(15)18-8-5-9-22-20(18)19/h3-9,12-14,16H,10-11H2,1-2H3,(H,23,24).
What are the key properties of N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide?
N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 119033670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).