[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate

C23H25ClN2O3 — CID 130267482

IUPAC[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c(-c2ccccc2C)c(C)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C23H25ClN2O3/c1-6-26(7-2)23(27)29-22-17-12-18(24)20(28-5)13-19(17)25-15(4)21(22)16-11-9-8-10-14(16)3/h8-13H,6-7H2,1-5H3
InChIKeyVTQMWDGMQBKKMJ-UHFFFAOYSA-N
MW412.92 g/mol
LogP6.02
Rot. Bonds5

About [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate

[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate (PubChem CID 130267482) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate
PubChem CID130267482
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c(-c2ccccc2C)c(C)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C23H25ClN2O3/c1-6-26(7-2)23(27)29-22-17-12-18(24)20(28-5)13-19(17)25-15(4)21(22)16-11-9-8-10-14(16)3/h8-13H,6-7H2,1-5H3
InChIKeyVTQMWDGMQBKKMJ-UHFFFAOYSA-N
XLogP6.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate?
The IUPAC name of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate (CID 130267482) is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate.
What is the SMILES notation for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate?
The canonical SMILES for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1c(-c2ccccc2C)c(C)nc2cc(OC)c(Cl)cc12.
What is the InChIKey of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate?
The InChIKey is VTQMWDGMQBKKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-6-26(7-2)23(27)29-22-17-12-18(24)20(28-5)13-19(17)25-15(4)21(22)16-11-9-8-10-14(16)3/h8-13H,6-7H2,1-5H3.
What are the key properties of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate?
[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate has a molecular weight of 412.92 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl] N,N-diethylcarbamate is sourced from PubChem (CID 130267482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).