[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

C30H23ClN2O4 — CID 2403708

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
SMILESCOc1ccc2cc(-c3cc(C(=O)OCC(=O)Nc4cc(Cl)ccc4C)c4ccccc4n3)ccc2c1
InChIInChI=1S/C30H23ClN2O4/c1-18-7-11-22(31)15-27(18)33-29(34)17-37-30(35)25-16-28(32-26-6-4-3-5-24(25)26)21-9-8-20-14-23(36-2)12-10-19(20)13-21/h3-16H,17H2,1-2H3,(H,33,34)
InChIKeyKDTDGNDFBKXQOG-UHFFFAOYSA-N
MW510.98 g/mol
LogP6.82
Rot. Bonds6

About [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate (PubChem CID 2403708) has the molecular formula C30H23ClN2O4 and a molecular weight of 510.98 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
PubChem CID2403708
Molecular FormulaC30H23ClN2O4
Molecular Weight510.98 g/mol
Exact Mass510.13
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
SMILESCOc1ccc2cc(-c3cc(C(=O)OCC(=O)Nc4cc(Cl)ccc4C)c4ccccc4n3)ccc2c1
InChIInChI=1S/C30H23ClN2O4/c1-18-7-11-22(31)15-27(18)33-29(34)17-37-30(35)25-16-28(32-26-6-4-3-5-24(25)26)21-9-8-20-14-23(36-2)12-10-19(20)13-21/h3-16H,17H2,1-2H3,(H,33,34)
InChIKeyKDTDGNDFBKXQOG-UHFFFAOYSA-N
XLogP6.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.98
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate with MolForge

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 4658233
(2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 16568659
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 23829059
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17261984
[2-(2-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 16528678
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 2353574
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7351421
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
[2-(3-methoxyanilino)-2-oxoethyl] 2-(2,4-dichlorophenyl)quinoline-4-carboxylate
CID 17260937
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17258500
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23994526
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-iodobenzoate
CID 71823697

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate (CID 2403708) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate is COc1ccc2cc(-c3cc(C(=O)OCC(=O)Nc4cc(Cl)ccc4C)c4ccccc4n3)ccc2c1.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The InChIKey is KDTDGNDFBKXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN2O4/c1-18-7-11-22(31)15-27(18)33-29(34)17-37-30(35)25-16-28(32-26-6-4-3-5-24(25)26)21-9-8-20-14-23(36-2)12-10-19(20)13-21/h3-16H,17H2,1-2H3,(H,33,34).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate has a molecular weight of 510.98 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2403708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).