N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide

C20H24N4O — CID 51586879

IUPACN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)Cn2nc(C)cc2C)c2cccc(C)c2n1
InChIInChI=1S/C20H24N4O/c1-12-7-6-8-17-18(10-13(2)21-19(12)17)20(25)22-15(4)11-24-16(5)9-14(3)23-24/h6-10,15H,11H2,1-5H3,(H,22,25)/t15-/m1/s1
InChIKeyMJVDFSSIBSSRGH-OAHLLOKOSA-N
MW336.44 g/mol
LogP3.48
Rot. Bonds4

About N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide (PubChem CID 51586879) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
PubChem CID51586879
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)Cn2nc(C)cc2C)c2cccc(C)c2n1
InChIInChI=1S/C20H24N4O/c1-12-7-6-8-17-18(10-13(2)21-19(12)17)20(25)22-15(4)11-24-16(5)9-14(3)23-24/h6-10,15H,11H2,1-5H3,(H,22,25)/t15-/m1/s1
InChIKeyMJVDFSSIBSSRGH-OAHLLOKOSA-N
XLogP3.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide
CID 110489357
N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
CID 53016160
methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 56789428
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157012975
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 19488742
8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46951603
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51597569
N-[(3S)-3-imidazol-1-ylbutyl]-2,8-dimethylquinoline-4-carboxamide
CID 96579004
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852951
5-[3-[[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 126440905

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide (CID 51586879) is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide is Cc1cc(C(=O)N[C@H](C)Cn2nc(C)cc2C)c2cccc(C)c2n1.
What is the InChIKey of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide?
The InChIKey is MJVDFSSIBSSRGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-12-7-6-8-17-18(10-13(2)21-19(12)17)20(25)22-15(4)11-24-16(5)9-14(3)23-24/h6-10,15H,11H2,1-5H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide?
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 51586879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).