7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile

C17H19N3O — CID 163275126

IUPAC7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile
SMILESCCCC1CN(c2c(C#N)cnc3cc(OC)ccc23)C1
InChIInChI=1S/C17H19N3O/c1-3-4-12-10-20(11-12)17-13(8-18)9-19-16-7-14(21-2)5-6-15(16)17/h5-7,9,12H,3-4,10-11H2,1-2H3
InChIKeyRTDYQDHEUPQTEF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds4

About 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile

7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile (PubChem CID 163275126) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile
PubChem CID163275126
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile
SMILESCCCC1CN(c2c(C#N)cnc3cc(OC)ccc23)C1
InChIInChI=1S/C17H19N3O/c1-3-4-12-10-20(11-12)17-13(8-18)9-19-16-7-14(21-2)5-6-15(16)17/h5-7,9,12H,3-4,10-11H2,1-2H3
InChIKeyRTDYQDHEUPQTEF-UHFFFAOYSA-N
XLogP3.35
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile
CID 115667709
7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002491
tert-butyl 1-(3-cyano-7-methoxyquinolin-4-yl)-3-methylpiperidine-4-carboxylate
CID 142290702
1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002509
[1-(3-cyano-6-methoxyquinolin-4-yl)piperidin-4-yl]methyl dihydrogen phosphite
CID 154672957
4-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinoline-3-carbonitrile;4-(4-ethylpiperidin-1-yl)-6,8-dimethoxyquinoline-3-carbonitrile;4-(4-ethylpiperidin-1-yl)-6-methoxyquinoline-3-carbonitrile;4-(4-ethylpiperidin-1-yl)-7-methoxyquinoline-3-carbonitrile;4-(4-ethylpiperidin-1-yl)-8-methoxyquinoline-3-carbonitrile
CID 167543050
N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
CID 53002505
1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 53113699
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458
7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile
CID 157041119
2-[1-(3-cyano-6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl dihydrogen phosphite
CID 167505895
4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
CID 50768736

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile (CID 163275126) is 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile is CCCC1CN(c2c(C#N)cnc3cc(OC)ccc23)C1.
What is the InChIKey of 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile?
The InChIKey is RTDYQDHEUPQTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-4-12-10-20(11-12)17-13(8-18)9-19-16-7-14(21-2)5-6-15(16)17/h5-7,9,12H,3-4,10-11H2,1-2H3.
What are the key properties of 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile?
7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 163275126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).