(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide

C19H23N5O2 — CID 97156555

IUPAC(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)[C@H](N)c2c(C)n[nH]c2C)c2cccnc12
InChIInChI=1S/C19H23N5O2/c1-11-16(12(2)23-22-11)17(20)19(25)24(3)10-13-7-8-15(26-4)18-14(13)6-5-9-21-18/h5-9,17H,10,20H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyIRWSKICIWODPCP-QGZVFWFLSA-N
MW353.43 g/mol
LogP2.24
Rot. Bonds5

About (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide

(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide (PubChem CID 97156555) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
PubChem CID97156555
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)[C@H](N)c2c(C)n[nH]c2C)c2cccnc12
InChIInChI=1S/C19H23N5O2/c1-11-16(12(2)23-22-11)17(20)19(25)24(3)10-13-7-8-15(26-4)18-14(13)6-5-9-21-18/h5-9,17H,10,20H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyIRWSKICIWODPCP-QGZVFWFLSA-N
XLogP2.24
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
CID 126435880
2-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 77089417
3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91828636
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70730340
2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid
CID 72881160
N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74242304
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 77092764
(2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 97129057
N-[(8-methoxyquinolin-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895054
N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 74242827
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902558
3-(1-cyclohexylcyclopropyl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea
CID 122568329

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide?
The IUPAC name of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide (CID 97156555) is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)[C@H](N)c2c(C)n[nH]c2C)c2cccnc12.
What is the InChIKey of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide?
The InChIKey is IRWSKICIWODPCP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-11-16(12(2)23-22-11)17(20)19(25)24(3)10-13-7-8-15(26-4)18-14(13)6-5-9-21-18/h5-9,17H,10,20H2,1-4H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide?
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide has a molecular weight of 353.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 97156555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).