6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile

C19H23N3O3 — CID 149186313

IUPAC6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
SMILESCOc1cc2c(C)c(C#N)cnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C19H23N3O3/c1-14-15(12-20)13-21-17-11-19(18(23-2)10-16(14)17)25-7-3-4-22-5-8-24-9-6-22/h10-11,13H,3-9H2,1-2H3
InChIKeyXBYCWBAQFBGFNH-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.52
Rot. Bonds6

About 6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile

6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile (PubChem CID 149186313) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
PubChem CID149186313
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
SMILESCOc1cc2c(C)c(C#N)cnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C19H23N3O3/c1-14-15(12-20)13-21-17-11-19(18(23-2)10-16(14)17)25-7-3-4-22-5-8-24-9-6-22/h10-11,13H,3-9H2,1-2H3
InChIKeyXBYCWBAQFBGFNH-UHFFFAOYSA-N
XLogP2.52
TPSA67.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile
CID 69171695
4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 10140112
N-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenyl]benzenesulfonamide
CID 59095490
4-(4-chloro-5-methoxy-2-methylanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CID 118680025
4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile
CID 145493377
4-methoxy-2-(methylideneamino)-5-(3-morpholin-4-ylpropoxy)benzonitrile
CID 143013804
ethane;4-(5-ethoxy-2,4-dimethylanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile;methane;propane
CID 144983344
5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile
CID 71498615
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
4-(4-amino-3,5-diiodoanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CID 72700331
4-[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10281928
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile (CID 149186313) is 6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile is COc1cc2c(C)c(C#N)cnc2cc1OCCCN1CCOCC1.
What is the InChIKey of 6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile?
The InChIKey is XBYCWBAQFBGFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-15(12-20)13-21-17-11-19(18(23-2)10-16(14)17)25-7-3-4-22-5-8-24-9-6-22/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile?
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile has a molecular weight of 341.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 149186313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).