N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide

C19H22N4O2 — CID 143673029

IUPACN-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C)c3cnn(CCO)c3C)ccc2n1
InChIInChI=1S/C19H22N4O2/c1-12-4-5-15-10-16(6-7-18(15)21-12)19(25)22-13(2)17-11-20-23(8-9-24)14(17)3/h4-7,10-11,13,24H,8-9H2,1-3H3,(H,22,25)
InChIKeyGMDWFCAHDOLYLM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.53
Rot. Bonds5

About N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide

N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide (PubChem CID 143673029) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide
PubChem CID143673029
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C)c3cnn(CCO)c3C)ccc2n1
InChIInChI=1S/C19H22N4O2/c1-12-4-5-15-10-16(6-7-18(15)21-12)19(25)22-13(2)17-11-20-23(8-9-24)14(17)3/h4-7,10-11,13,24H,8-9H2,1-3H3,(H,22,25)
InChIKeyGMDWFCAHDOLYLM-UHFFFAOYSA-N
XLogP2.53
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2-hydroxy-2-methylpropyl)-5-methylpyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 24946589
2-[5-methyl-4-[1-[[2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carbonyl]amino]ethyl]pyrazol-1-yl]acetic acid
CID 67181242
N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide
CID 109479102
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19467077
N-[(1S)-1-(5-chloro-1-methylpyrazol-4-yl)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)quinoline-6-carboxamide
CID 59544185
N-[1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethyl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 24946763
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]naphthalene-2-carboxamide
CID 59544180
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119730438
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19270593
2-(aminomethyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114325728
2-amino-1-(2-methylquinolin-6-yl)propan-1-one
CID 116551720
6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 66462120

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide?
The IUPAC name of N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide (CID 143673029) is N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide is Cc1ccc2cc(C(=O)NC(C)c3cnn(CCO)c3C)ccc2n1.
What is the InChIKey of N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide?
The InChIKey is GMDWFCAHDOLYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-4-5-15-10-16(6-7-18(15)21-12)19(25)22-13(2)17-11-20-23(8-9-24)14(17)3/h4-7,10-11,13,24H,8-9H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide?
N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 143673029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).