ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate

C26H29N3O4 — CID 53002745

IUPACethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(OC)cc23)cc1
InChIInChI=1S/C26H29N3O4/c1-4-33-26(31)18-5-7-19(8-6-18)27-23-16-24(25(30)29-13-11-17(2)12-14-29)28-22-10-9-20(32-3)15-21(22)23/h5-10,15-17H,4,11-14H2,1-3H3,(H,27,28)
InChIKeyCGMVRZZSXKNWQR-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.04
Rot. Bonds6

About ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate

ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate (PubChem CID 53002745) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
PubChem CID53002745
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Nameethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(OC)cc23)cc1
InChIInChI=1S/C26H29N3O4/c1-4-33-26(31)18-5-7-19(8-6-18)27-23-16-24(25(30)29-13-11-17(2)12-14-29)28-22-10-9-20(32-3)15-21(22)23/h5-10,15-17H,4,11-14H2,1-3H3,(H,27,28)
InChIKeyCGMVRZZSXKNWQR-UHFFFAOYSA-N
XLogP5.04
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate with MolForge

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Related Compounds

ethyl 3-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
CID 53020946
1-[4-[[6-methyl-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]phenyl]ethanone
CID 53113743
(4-methylpiperidin-1-yl)-[6-methyl-4-(3,4,5-trimethoxyanilino)quinolin-2-yl]methanone
CID 53113742
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364360
propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
CID 18590567
[4-(3,4-difluoroanilino)-6,7-dimethoxyquinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53002782
methyl 4-[[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109364378
ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109095536
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
ethyl 4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 52890363

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate (CID 53002745) is ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(OC)cc23)cc1.
What is the InChIKey of ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate?
The InChIKey is CGMVRZZSXKNWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-4-33-26(31)18-5-7-19(8-6-18)27-23-16-24(25(30)29-13-11-17(2)12-14-29)28-22-10-9-20(32-3)15-21(22)23/h5-10,15-17H,4,11-14H2,1-3H3,(H,27,28).
What are the key properties of ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate?
ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate has a molecular weight of 447.54 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate is sourced from PubChem (CID 53002745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).