(2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C20H24N4O — CID 97065144

IUPAC(2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C[C@H](C)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C20H24N4O/c1-13(11-18-14(2)23-24(4)15(18)3)20(25)22-12-17-8-5-7-16-9-6-10-21-19(16)17/h5-10,13H,11-12H2,1-4H3,(H,22,25)/t13-/m0/s1
InChIKeyOIJDZDYSNPXDLH-ZDUSSCGKSA-N
MW336.44 g/mol
LogP3.08
Rot. Bonds5

About (2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 97065144) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID97065144
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C[C@H](C)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C20H24N4O/c1-13(11-18-14(2)23-24(4)15(18)3)20(25)22-12-17-8-5-7-16-9-6-10-21-19(16)17/h5-10,13H,11-12H2,1-4H3,(H,22,25)/t13-/m0/s1
InChIKeyOIJDZDYSNPXDLH-ZDUSSCGKSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47017959
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
4-[[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]benzoic acid
CID 119165575
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 86895240
N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119529693
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
CID 81428409
(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
N-(quinolin-8-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 71883233

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 97065144) is (2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCc1cccc2cccnc12.
What is the InChIKey of (2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is OIJDZDYSNPXDLH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13(11-18-14(2)23-24(4)15(18)3)20(25)22-12-17-8-5-7-16-9-6-10-21-19(16)17/h5-10,13H,11-12H2,1-4H3,(H,22,25)/t13-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 336.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 97065144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).