4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile

C22H21N3O3 — CID 91320455

IUPAC4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile
SMILESCOc1cc2c(Nc3ccc(C(C)=O)cc3)c(C#N)cnc2cc1OC(C)C
InChIInChI=1S/C22H21N3O3/c1-13(2)28-21-10-19-18(9-20(21)27-4)22(16(11-23)12-24-19)25-17-7-5-15(6-8-17)14(3)26/h5-10,12-13H,1-4H3,(H,24,25)
InChIKeyVIDCDQUCSHBLME-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.85
Rot. Bonds6

About 4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile

4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile (PubChem CID 91320455) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile
PubChem CID91320455
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile
SMILESCOc1cc2c(Nc3ccc(C(C)=O)cc3)c(C#N)cnc2cc1OC(C)C
InChIInChI=1S/C22H21N3O3/c1-13(2)28-21-10-19-18(9-20(21)27-4)22(16(11-23)12-24-19)25-17-7-5-15(6-8-17)14(3)26/h5-10,12-13H,1-4H3,(H,24,25)
InChIKeyVIDCDQUCSHBLME-UHFFFAOYSA-N
XLogP4.85
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-4-[4-[(E)-C-methyl-N-[(E)-2-methylbut-2-enoxy]carbonimidoyl]anilino]-7-propan-2-yloxyquinoline-3-carbonitrile
CID 142929580
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-[4-[(Z)-N-[(3,4-dichlorophenyl)methoxy]-C-methylcarbonimidoyl]anilino]-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile
CID 10076212
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
4-(2,4-dihydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466547
2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
CID 22466655
3-cyano-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-7-carboxylic acid
CID 21035019
4-(2-hydroxy-4-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466676
7-methoxy-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055680
7-(2-chloroethoxy)-4-(3-hydroxy-4-methylanilino)-6-methoxyquinoline-3-carbonitrile
CID 22466649

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile?
The IUPAC name of 4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile (CID 91320455) is 4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile is COc1cc2c(Nc3ccc(C(C)=O)cc3)c(C#N)cnc2cc1OC(C)C.
What is the InChIKey of 4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile?
The InChIKey is VIDCDQUCSHBLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13(2)28-21-10-19-18(9-20(21)27-4)22(16(11-23)12-24-19)25-17-7-5-15(6-8-17)14(3)26/h5-10,12-13H,1-4H3,(H,24,25).
What are the key properties of 4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile?
4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile has a molecular weight of 375.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile is sourced from PubChem (CID 91320455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).