methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate

C21H22N2O2 — CID 158892073

IUPACmethyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(C)c(C(C)C)cc2c1Nc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-13(2)16-11-17-19(10-14(16)3)22-12-18(21(24)25-4)20(17)23-15-8-6-5-7-9-15/h5-13H,1-4H3,(H,22,23)
InChIKeyZVOFXSKMEIVASA-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.20
Rot. Bonds4

About methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate

methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate (PubChem CID 158892073) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate
PubChem CID158892073
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Namemethyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(C)c(C(C)C)cc2c1Nc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-13(2)16-11-17-19(10-14(16)3)22-12-18(21(24)25-4)20(17)23-15-8-6-5-7-9-15/h5-13H,1-4H3,(H,22,23)
InChIKeyZVOFXSKMEIVASA-UHFFFAOYSA-N
XLogP5.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one
CID 159144496
ethyl 6-ethoxy-4-(4-propan-2-ylanilino)quinoline-3-carboxylate
CID 22333888
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
dimethyl 2-anilino-5-methylbenzene-1,4-dicarboxylate
CID 59019297
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
ethyl 4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23731775
methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132008

Frequently Asked Questions

What is the IUPAC name of methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate?
The IUPAC name of methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate (CID 158892073) is methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate?
The canonical SMILES for methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate is COC(=O)c1cnc2cc(C)c(C(C)C)cc2c1Nc1ccccc1.
What is the InChIKey of methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate?
The InChIKey is ZVOFXSKMEIVASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13(2)16-11-17-19(10-14(16)3)22-12-18(21(24)25-4)20(17)23-15-8-6-5-7-9-15/h5-13H,1-4H3,(H,22,23).
What are the key properties of methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate?
methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-anilino-7-methyl-6-propan-2-ylquinoline-3-carboxylate is sourced from PubChem (CID 158892073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).