[4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate

C27H31N5O3 — CID 59484260

IUPAC[4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1nccc(C)c1COc1cccc2c(-c3ccnn3C)cc(C)nc12
InChIInChI=1S/C27H31N5O3/c1-6-32(7-2)27(33)35-17-23-22(18(3)11-13-28-23)16-34-25-10-8-9-20-21(15-19(4)30-26(20)25)24-12-14-29-31(24)5/h8-15H,6-7,16-17H2,1-5H3
InChIKeyXLGZWUDCVSFLPR-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.20
Rot. Bonds8

About [4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate

[4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate (PubChem CID 59484260) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is [4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate
PubChem CID59484260
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name[4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1nccc(C)c1COc1cccc2c(-c3ccnn3C)cc(C)nc12
InChIInChI=1S/C27H31N5O3/c1-6-32(7-2)27(33)35-17-23-22(18(3)11-13-28-23)16-34-25-10-8-9-20-21(15-19(4)30-26(20)25)24-12-14-29-31(24)5/h8-15H,6-7,16-17H2,1-5H3
InChIKeyXLGZWUDCVSFLPR-UHFFFAOYSA-N
XLogP5.20
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate
CID 59484225
2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide
CID 59484079
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 59484539
1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl acetate
CID 59484174
8-[[3-chloro-5-(chloromethyl)-4-pyridinyl]methoxy]-2-methyl-4-(2-methylpyrazol-3-yl)quinoline
CID 67077254
5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one
CID 59484559
[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol
CID 59484341
1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide
CID 59484112
1-[[4-chloro-1-hydroxy-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]pyridin-1-ium-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one;ethane
CID 145481019
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 89229012
2-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)ethanol
CID 71053251
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 59484307

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate?
The IUPAC name of [4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate (CID 59484260) is [4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate.
What is the SMILES notation for [4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate?
The canonical SMILES for [4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate is CCN(CC)C(=O)OCc1nccc(C)c1COc1cccc2c(-c3ccnn3C)cc(C)nc12.
What is the InChIKey of [4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate?
The InChIKey is XLGZWUDCVSFLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-6-32(7-2)27(33)35-17-23-22(18(3)11-13-28-23)16-34-25-10-8-9-20-21(15-19(4)30-26(20)25)24-12-14-29-31(24)5/h8-15H,6-7,16-17H2,1-5H3.
What are the key properties of [4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate?
[4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate has a molecular weight of 473.58 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl N,N-diethylcarbamate is sourced from PubChem (CID 59484260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).