N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide

C21H24N4O — CID 169412801

IUPACN-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide
SMILESCc1n[nH]c(C)c1-c1cc(C)c2cc(CCC(=O)NC3CC3)ccc2n1
InChIInChI=1S/C21H24N4O/c1-12-10-19(21-13(2)24-25-14(21)3)23-18-8-4-15(11-17(12)18)5-9-20(26)22-16-6-7-16/h4,8,10-11,16H,5-7,9H2,1-3H3,(H,22,26)(H,24,25)
InChIKeySXTBKTIVPRDZOH-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.76
Rot. Bonds5

About N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide

N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide (PubChem CID 169412801) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide
PubChem CID169412801
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide
SMILESCc1n[nH]c(C)c1-c1cc(C)c2cc(CCC(=O)NC3CC3)ccc2n1
InChIInChI=1S/C21H24N4O/c1-12-10-19(21-13(2)24-25-14(21)3)23-18-8-4-15(11-17(12)18)5-9-20(26)22-16-6-7-16/h4,8,10-11,16H,5-7,9H2,1-3H3,(H,22,26)(H,24,25)
InChIKeySXTBKTIVPRDZOH-UHFFFAOYSA-N
XLogP3.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-(4-fluorophenyl)-4-methylquinolin-6-yl]acetamide
CID 170505736
N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 90634754
N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390127
3-[3-(3-chloro-4-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032315
cis-(1S,3R)-3-[3-(4-bromo-3-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676009
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide
CID 112732619
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 25156750
N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455742

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide (CID 169412801) is N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide is Cc1n[nH]c(C)c1-c1cc(C)c2cc(CCC(=O)NC3CC3)ccc2n1.
What is the InChIKey of N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide?
The InChIKey is SXTBKTIVPRDZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-12-10-19(21-13(2)24-25-14(21)3)23-18-8-4-15(11-17(12)18)5-9-20(26)22-16-6-7-16/h4,8,10-11,16H,5-7,9H2,1-3H3,(H,22,26)(H,24,25).
What are the key properties of N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide?
N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylquinolin-6-yl]propanamide is sourced from PubChem (CID 169412801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).