4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride

C19H17Cl2N3O3 — CID 146055597

IUPAC4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
SMILESCOc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1Cl.Cl
InChIInChI=1S/C19H16ClN3O3.ClH/c1-24-16-5-4-12(6-14(16)20)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);1H
InChIKeyDJEXTFNFKUKAJS-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.95
Rot. Bonds5

About 4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride

4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride (PubChem CID 146055597) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
PubChem CID146055597
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC Name4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
SMILESCOc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1Cl.Cl
InChIInChI=1S/C19H16ClN3O3.ClH/c1-24-16-5-4-12(6-14(16)20)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);1H
InChIKeyDJEXTFNFKUKAJS-UHFFFAOYSA-N
XLogP4.95
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902
4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328916
7-(2-chloroethoxy)-4-(3-hydroxy-4-methylanilino)-6-methoxyquinoline-3-carbonitrile
CID 22466649
7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide
CID 85471342
4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile
CID 91320455
4-(3-chloro-4-thiophen-2-ylanilino)-6,7-diethoxyquinoline-3-carbonitrile
CID 174393848
4-(2,4-dihydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466547
6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile
CID 107623067
4-(3,4-dichloroanilino)-7-methoxy-6-[1-(2-phenylprop-2-enoyl)piperidin-4-yl]oxyquinoline-3-carbonitrile
CID 175585276

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride (CID 146055597) is 4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride is COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1Cl.Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride?
The InChIKey is DJEXTFNFKUKAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3.ClH/c1-24-16-5-4-12(6-14(16)20)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);1H.
What are the key properties of 4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride?
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride has a molecular weight of 406.27 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 146055597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).