N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

C30H34N4O5 — CID 42484326

IUPACN-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
SMILESCOc1cccc(-c2nc3cc(OC)c(OC)cc3cc2CN(C[C@H]2CCCO2)C(=O)c2cc(C)nn2C)c1
InChIInChI=1S/C30H34N4O5/c1-19-12-26(33(2)32-19)30(35)34(18-24-10-7-11-39-24)17-22-13-21-15-27(37-4)28(38-5)16-25(21)31-29(22)20-8-6-9-23(14-20)36-3/h6,8-9,12-16,24H,7,10-11,17-18H2,1-5H3/t24-/m1/s1
InChIKeyYMUPXWJNKCUURM-XMMPIXPASA-N
MW530.63 g/mol
LogP4.79
Rot. Bonds9

About N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 42484326) has the molecular formula C30H34N4O5 and a molecular weight of 530.63 g/mol. Its IUPAC name is N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID42484326
Molecular FormulaC30H34N4O5
Molecular Weight530.63 g/mol
Exact Mass530.25
IUPAC NameN-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
SMILESCOc1cccc(-c2nc3cc(OC)c(OC)cc3cc2CN(C[C@H]2CCCO2)C(=O)c2cc(C)nn2C)c1
InChIInChI=1S/C30H34N4O5/c1-19-12-26(33(2)32-19)30(35)34(18-24-10-7-11-39-24)17-22-13-21-15-27(37-4)28(38-5)16-25(21)31-29(22)20-8-6-9-23(14-20)36-3/h6,8-9,12-16,24H,7,10-11,17-18H2,1-5H3/t24-/m1/s1
InChIKeyYMUPXWJNKCUURM-XMMPIXPASA-N
XLogP4.79
TPSA87.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 42472762
2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45222890
N-(4-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 40966618
N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 40966634
3-methoxy-N-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136451
N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 42397899
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
2,3-dimethoxy-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125173420
N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
CID 44779998
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26352971
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692

Frequently Asked Questions

What is the IUPAC name of N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide (CID 42484326) is N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide is COc1cccc(-c2nc3cc(OC)c(OC)cc3cc2CN(C[C@H]2CCCO2)C(=O)c2cc(C)nn2C)c1.
What is the InChIKey of N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is YMUPXWJNKCUURM-XMMPIXPASA-N. The full InChI is InChI=1S/C30H34N4O5/c1-19-12-26(33(2)32-19)30(35)34(18-24-10-7-11-39-24)17-22-13-21-15-27(37-4)28(38-5)16-25(21)31-29(22)20-8-6-9-23(14-20)36-3/h6,8-9,12-16,24H,7,10-11,17-18H2,1-5H3/t24-/m1/s1.
What are the key properties of N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 530.63 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 42484326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).