(2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide

C17H20N4O3 — CID 95282789

IUPAC(2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCc1cc(NC(=O)CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)no1
InChIInChI=1S/C17H20N4O3/c1-10-7-13(17(18)23)12-5-3-4-6-14(12)21(10)9-16(22)19-15-8-11(2)24-20-15/h3-6,8,10,13H,7,9H2,1-2H3,(H2,18,23)(H,19,20,22)/t10-,13+/m0/s1
InChIKeyFLNCDNHRQREPDH-GXFFZTMASA-N
MW328.37 g/mol
LogP1.79
Rot. Bonds4

About (2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide

(2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 95282789) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID95282789
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCc1cc(NC(=O)CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)no1
InChIInChI=1S/C17H20N4O3/c1-10-7-13(17(18)23)12-5-3-4-6-14(12)21(10)9-16(22)19-15-8-11(2)24-20-15/h3-6,8,10,13H,7,9H2,1-2H3,(H2,18,23)(H,19,20,22)/t10-,13+/m0/s1
InChIKeyFLNCDNHRQREPDH-GXFFZTMASA-N
XLogP1.79
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-2-methyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 100903784
1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 167920926
(2R,4S)-1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95151811
(2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95584191
(2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95576424
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
(2R,4R)-N-[(2S)-butan-2-yl]-1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 100893412
(2R,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 98730493
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 42922545
(2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95146105
2-(2,6-dimethylmorpholin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4882751
(2R,4R)-1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 100901258

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide (CID 95282789) is (2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide is Cc1cc(NC(=O)CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)no1.
What is the InChIKey of (2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is FLNCDNHRQREPDH-GXFFZTMASA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10-7-13(17(18)23)12-5-3-4-6-14(12)21(10)9-16(22)19-15-8-11(2)24-20-15/h3-6,8,10,13H,7,9H2,1-2H3,(H2,18,23)(H,19,20,22)/t10-,13+/m0/s1.
What are the key properties of (2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
(2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 95282789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).