7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide

C24H30N4O4 — CID 22170229

IUPAC7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(OC)c3C)c2cc1OCCNC(C)C
InChIInChI=1S/C24H30N4O4/c1-14(2)26-9-10-32-22-11-16-19(12-21(22)31-5)27-13-17(24(25)29)23(16)28-18-7-6-8-20(30-4)15(18)3/h6-8,11-14,26H,9-10H2,1-5H3,(H2,25,29)(H,27,28)
InChIKeyFKXURLRIZHPHTP-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.78
Rot. Bonds10

About 7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide

7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide (PubChem CID 22170229) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide
PubChem CID22170229
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(OC)c3C)c2cc1OCCNC(C)C
InChIInChI=1S/C24H30N4O4/c1-14(2)26-9-10-32-22-11-16-19(12-21(22)31-5)27-13-17(24(25)29)23(16)28-18-7-6-8-20(30-4)15(18)3/h6-8,11-14,26H,9-10H2,1-5H3,(H2,25,29)(H,27,28)
InChIKeyFKXURLRIZHPHTP-UHFFFAOYSA-N
XLogP3.78
TPSA107.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 148201
Lucitanib
CID 25031915
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CID 11441375
4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 16755780
4-(4-Chloro-2-Fluoro-Anilino)-6,7-Dimethoxy-N-Methyl-Quinoline-3-Carboxamide
CID 118704900
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CID 5304336
1-[8-(2-Hydroxy-ethoxy)-4-o-tolylamino-quinolin-3-yl]-butan-1-one
CID 9887258
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
5-(6,7-Dimethoxy-quinolin-3-yl)-1H-pyridin-2-one
CID 11778521
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
CID 15511440
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]quinoline-6-carboxamide
CID 117996828
6-Methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-(pyrrolidin-1-yl)propoxy)quinolin-4-amine
CID 118607432

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide (CID 22170229) is 7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3cccc(OC)c3C)c2cc1OCCNC(C)C.
What is the InChIKey of 7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide?
The InChIKey is FKXURLRIZHPHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-14(2)26-9-10-32-22-11-16-19(12-21(22)31-5)27-13-17(24(25)29)23(16)28-18-7-6-8-20(30-4)15(18)3/h6-8,11-14,26H,9-10H2,1-5H3,(H2,25,29)(H,27,28).
What are the key properties of 7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide?
7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.78, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide is sourced from PubChem (CID 22170229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).