1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate

C25H26ClN5O3 — CID 59484225

IUPAC1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3C(C)OC(=O)N(C)C)c2n1
InChIInChI=1S/C25H26ClN5O3/c1-15-11-18(22-9-10-28-31(22)5)17-7-6-8-23(24(17)29-15)33-14-20-19(12-27-13-21(20)26)16(2)34-25(32)30(3)4/h6-13,16H,14H2,1-5H3
InChIKeyCEAVDRADCSWRQK-UHFFFAOYSA-N
MW479.97 g/mol
LogP5.33
Rot. Bonds6

About 1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate

1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate (PubChem CID 59484225) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is 1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate
PubChem CID59484225
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC Name1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3C(C)OC(=O)N(C)C)c2n1
InChIInChI=1S/C25H26ClN5O3/c1-15-11-18(22-9-10-28-31(22)5)17-7-6-8-23(24(17)29-15)33-14-20-19(12-27-13-21(20)26)16(2)34-25(32)30(3)4/h6-13,16H,14H2,1-5H3
InChIKeyCEAVDRADCSWRQK-UHFFFAOYSA-N
XLogP5.33
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.97
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate?
The IUPAC name of 1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate (CID 59484225) is 1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate.
What is the SMILES notation for 1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate?
The canonical SMILES for 1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate is Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3C(C)OC(=O)N(C)C)c2n1.
What is the InChIKey of 1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate?
The InChIKey is CEAVDRADCSWRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c1-15-11-18(22-9-10-28-31(22)5)17-7-6-8-23(24(17)29-15)33-14-20-19(12-27-13-21(20)26)16(2)34-25(32)30(3)4/h6-13,16H,14H2,1-5H3.
What are the key properties of 1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate?
1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate has a molecular weight of 479.97 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate is sourced from PubChem (CID 59484225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).