5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile

C23H25N5O3 — CID 71498615

IUPAC5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile
SMILESCOc1cc2c(Nc3cncc(C#N)c3)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C23H25N5O3/c1-29-22-12-19-20(27-18-11-17(14-24)15-25-16-18)3-4-26-21(19)13-23(22)31-8-2-5-28-6-9-30-10-7-28/h3-4,11-13,15-16H,2,5-10H2,1H3,(H,26,27)
InChIKeyWSGBKLJZQOSUGM-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.35
Rot. Bonds8

About 5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile

5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 71498615) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID71498615
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile
SMILESCOc1cc2c(Nc3cncc(C#N)c3)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C23H25N5O3/c1-29-22-12-19-20(27-18-11-17(14-24)15-25-16-18)3-4-26-21(19)13-23(22)31-8-2-5-28-6-9-30-10-7-28/h3-4,11-13,15-16H,2,5-10H2,1H3,(H,26,27)
InChIKeyWSGBKLJZQOSUGM-UHFFFAOYSA-N
XLogP3.35
TPSA92.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604
4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 10140112
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088
sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate
CID 141269409
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-amine;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
CID 162055752
2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol
CID 22646596
N-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenyl]benzenesulfonamide
CID 59095490
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
2-[4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenoxy]benzonitrile
CID 175809881
4-[3-(aminomethyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 10187830
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103

Frequently Asked Questions

What is the IUPAC name of 5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile (CID 71498615) is 5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile is COc1cc2c(Nc3cncc(C#N)c3)ccnc2cc1OCCCN1CCOCC1.
What is the InChIKey of 5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is WSGBKLJZQOSUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-29-22-12-19-20(27-18-11-17(14-24)15-25-16-18)3-4-26-21(19)13-23(22)31-8-2-5-28-6-9-30-10-7-28/h3-4,11-13,15-16H,2,5-10H2,1H3,(H,26,27).
What are the key properties of 5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile?
5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 419.49 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 71498615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).