4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile

C20H18ClN3O3 — CID 5328923

IUPAC4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c(C)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-11-5-14(21)17(25-2)7-15(11)24-20-12(9-22)10-23-16-8-19(27-4)18(26-3)6-13(16)20/h5-8,10H,1-4H3,(H,23,24)
InChIKeyYAQGBNTVJOCPCH-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.84
Rot. Bonds5

About 4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile

4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile (PubChem CID 5328923) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile
PubChem CID5328923
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c(C)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-11-5-14(21)17(25-2)7-15(11)24-20-12(9-22)10-23-16-8-19(27-4)18(26-3)6-13(16)20/h5-8,10H,1-4H3,(H,23,24)
InChIKeyYAQGBNTVJOCPCH-UHFFFAOYSA-N
XLogP4.84
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile (CID 5328923) is 4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c(C)cc1Cl.
What is the InChIKey of 4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The InChIKey is YAQGBNTVJOCPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-11-5-14(21)17(25-2)7-15(11)24-20-12(9-22)10-23-16-8-19(27-4)18(26-3)6-13(16)20/h5-8,10H,1-4H3,(H,23,24).
What are the key properties of 4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile has a molecular weight of 383.84 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-methoxy-2-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 5328923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).