2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide

C17H19N5O — CID 110451145

IUPAC2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1n[nH]c(C)c1CNC(=O)Cc1ccc2cccc(N)c2n1
InChIInChI=1S/C17H19N5O/c1-10-14(11(2)22-21-10)9-19-16(23)8-13-7-6-12-4-3-5-15(18)17(12)20-13/h3-7H,8-9,18H2,1-2H3,(H,19,23)(H,21,22)
InChIKeySQMXBVCBTCMDKG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.02
Rot. Bonds4

About 2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide

2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 110451145) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID110451145
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1n[nH]c(C)c1CNC(=O)Cc1ccc2cccc(N)c2n1
InChIInChI=1S/C17H19N5O/c1-10-14(11(2)22-21-10)9-19-16(23)8-13-7-6-12-4-3-5-15(18)17(12)20-13/h3-7H,8-9,18H2,1-2H3,(H,19,23)(H,21,22)
InChIKeySQMXBVCBTCMDKG-UHFFFAOYSA-N
XLogP2.02
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(8-aminoquinolin-2-yl)-N-ethylacetamide
CID 82547485
2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110451276
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 82547391
2-(8-aminoquinolin-2-yl)-N-butylacetamide
CID 82547447
3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide
CID 110460201
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 166207351
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110444644
2-[[2-(8-aminoquinolin-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 110451199
2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110451248

Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide (CID 110451145) is 2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide is Cc1n[nH]c(C)c1CNC(=O)Cc1ccc2cccc(N)c2n1.
What is the InChIKey of 2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is SQMXBVCBTCMDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-10-14(11(2)22-21-10)9-19-16(23)8-13-7-6-12-4-3-5-15(18)17(12)20-13/h3-7H,8-9,18H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide?
2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 110451145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).