N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide

C26H33N5O3 — CID 74787202

IUPACN-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
SMILESCOCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C26H33N5O3/c1-30(2)25-20(14-19-10-11-21(34-4)15-22(19)27-25)17-31(12-13-33-3)26(32)24-16-23(28-29-24)18-8-6-5-7-9-18/h5-11,14-15,23-24,28-29H,12-13,16-17H2,1-4H3
InChIKeyNTLZNICDNCTROX-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.89
Rot. Bonds9

About N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide

N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 74787202) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID74787202
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC NameN-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
SMILESCOCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C26H33N5O3/c1-30(2)25-20(14-19-10-11-21(34-4)15-22(19)27-25)17-31(12-13-33-3)26(32)24-16-23(28-29-24)18-8-6-5-7-9-18/h5-11,14-15,23-24,28-29H,12-13,16-17H2,1-4H3
InChIKeyNTLZNICDNCTROX-UHFFFAOYSA-N
XLogP2.89
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 85482644
N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 42370856
1-(4-chlorophenyl)-N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 26326793
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 56855963
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 26274431
5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide
CID 74629806
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide
CID 29084490
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 126464206
N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide
CID 45240875
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolidine-3-carboxamide
CID 134067175
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 24550324

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide (CID 74787202) is N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide is COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is NTLZNICDNCTROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-30(2)25-20(14-19-10-11-21(34-4)15-22(19)27-25)17-31(12-13-33-3)26(32)24-16-23(28-29-24)18-8-6-5-7-9-18/h5-11,14-15,23-24,28-29H,12-13,16-17H2,1-4H3.
What are the key properties of N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide?
N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 74787202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).