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

C19H16ClN3O3 — CID 5328916

IUPAC4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1ccc(Cl)c(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C19H16ClN3O3/c1-24-12-4-5-14(20)16(6-12)23-19-11(9-21)10-22-15-8-18(26-3)17(25-2)7-13(15)19/h4-8,10H,1-3H3,(H,22,23)
InChIKeyWIGUVQBLQNQDPX-UHFFFAOYSA-N
MW369.81 g/mol
LogP4.53
Rot. Bonds5

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

4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile (PubChem CID 5328916) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
PubChem CID5328916
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1ccc(Cl)c(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C19H16ClN3O3/c1-24-12-4-5-14(20)16(6-12)23-19-11(9-21)10-22-15-8-18(26-3)17(25-2)7-13(15)19/h4-8,10H,1-3H3,(H,22,23)
InChIKeyWIGUVQBLQNQDPX-UHFFFAOYSA-N
XLogP4.53
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chloro-5-methoxyanilino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile
CID 23498091
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 71779766
4-(2,4-dihydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466547
4-(2-hydroxy-4-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466676
7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile
CID 50768609
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
CID 22466655
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile
CID 141040646

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile (CID 5328916) is 4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile is COc1ccc(Cl)c(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of 4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The InChIKey is WIGUVQBLQNQDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-24-12-4-5-14(20)16(6-12)23-19-11(9-21)10-22-15-8-18(26-3)17(25-2)7-13(15)19/h4-8,10H,1-3H3,(H,22,23).
What are the key properties of 4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile has a molecular weight of 369.81 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 5328916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).