6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile

C27H32N4O4 — CID 5328934

IUPAC6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(C)cc1C
InChIInChI=1S/C27H32N4O4/c1-18-12-19(2)24(32-3)14-22(18)30-27-20(16-28)17-29-23-15-26(25(33-4)13-21(23)27)35-9-5-6-31-7-10-34-11-8-31/h12-15,17H,5-11H2,1-4H3,(H,29,30)
InChIKeyHMQAQKDHRMARNF-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.59
Rot. Bonds9

About 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile

6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile (PubChem CID 5328934) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
PubChem CID5328934
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(C)cc1C
InChIInChI=1S/C27H32N4O4/c1-18-12-19(2)24(32-3)14-22(18)30-27-20(16-28)17-29-23-15-26(25(33-4)13-21(23)27)35-9-5-6-31-7-10-34-11-8-31/h12-15,17H,5-11H2,1-4H3,(H,29,30)
InChIKeyHMQAQKDHRMARNF-UHFFFAOYSA-N
XLogP4.59
TPSA88.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.59
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

4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile
CID 5328931
4-[(4-Chloro-5-methoxy-2-methylphenyl)amino]-7-methoxy-8-[2-(morpholin-4-yl)ethoxy]benzo[g]quinoline-3-carbonitrile
CID 5330435
4-[(4-Chloro-5-methoxy-2-methylphenyl)amino]-7-methoxy-8-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[g]quinoline-3-carbonitrile
CID 5330436
4-[(2-Chloro-5-methoxy-4-methylphenyl)amino]-7-methoxy-8-[2-(morpholin-4-yl)ethoxy]benzo[g]quinoline-3-carbonitrile
CID 5330440
4-[(2-Chloro-5-methoxy-4-methylphenyl)amino]-8-[2-(4-hydroxypiperidin-1-yl)ethoxy]-7-methoxybenzo[g]quinoline-3-carbonitrile
CID 5330441
4-[(2-Chloro-4-fluoro-5-methoxyphenyl)amino]-7-methoxy-8-[2-(morpholin-4-yl)ethoxy]benzo[g]quinoline-3-carbonitrile
CID 5330442
7-Methoxy-8-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330444
7-Methoxy-8-[2-(morpholin-4-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330445
Ki-23057
CID 9850161
6,7-Dimethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330468
4-[(3,5-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5330472
4-[(3-Bromophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile
CID 5328838

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile (CID 5328934) is 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(C)cc1C.
What is the InChIKey of 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile?
The InChIKey is HMQAQKDHRMARNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-18-12-19(2)24(32-3)14-22(18)30-27-20(16-28)17-29-23-15-26(25(33-4)13-21(23)27)35-9-5-6-31-7-10-34-11-8-31/h12-15,17H,5-11H2,1-4H3,(H,29,30).
What are the key properties of 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile?
6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile has a molecular weight of 476.58 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(5-methoxy-2,4-dimethylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 5328934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).