methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate

C17H18N4O3 — CID 108747073

IUPACmethyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate
SMILESCOC(=O)Nc1cc(C)nn1-c1cc(C)c2cccc(OC)c2n1
InChIInChI=1S/C17H18N4O3/c1-10-8-14(18-16-12(10)6-5-7-13(16)23-3)21-15(9-11(2)20-21)19-17(22)24-4/h5-9H,1-4H3,(H,19,22)
InChIKeyKSHSSMHGRNHTTJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.22
Rot. Bonds3

About methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate

methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate (PubChem CID 108747073) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate
PubChem CID108747073
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Namemethyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate
SMILESCOC(=O)Nc1cc(C)nn1-c1cc(C)c2cccc(OC)c2n1
InChIInChI=1S/C17H18N4O3/c1-10-8-14(18-16-12(10)6-5-7-13(16)23-3)21-15(9-11(2)20-21)19-17(22)24-4/h5-9H,1-4H3,(H,19,22)
InChIKeyKSHSSMHGRNHTTJ-UHFFFAOYSA-N
XLogP3.22
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate
CID 108747124
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-5-methylfuran-2-carboxamide
CID 108747115
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108769239
2-(2,5-dichlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 108769235
4-(4-chlorophenoxy)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]butanamide
CID 108769248
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108801057
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine
CID 108779051
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methoxyphenyl)pyridazin-3-amine
CID 108779054
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108769696
1-(3-chlorophenyl)-N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 108779030
2-(4-chloro-3-methylphenoxy)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 108769694
2-chloroethyl N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]carbamate
CID 108747474

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate?
The IUPAC name of methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate (CID 108747073) is methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate?
The canonical SMILES for methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate is COC(=O)Nc1cc(C)nn1-c1cc(C)c2cccc(OC)c2n1.
What is the InChIKey of methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate?
The InChIKey is KSHSSMHGRNHTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10-8-14(18-16-12(10)6-5-7-13(16)23-3)21-15(9-11(2)20-21)19-17(22)24-4/h5-9H,1-4H3,(H,19,22).
What are the key properties of methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate?
methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate has a molecular weight of 326.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 108747073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).