(2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide

C18H26N2O3 — CID 99840589

IUPAC(2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide
SMILESCC[C@@H](C)[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2COC
InChIInChI=1S/C18H26N2O3/c1-5-12(2)13(3)18(22)19-15-7-8-16-14(10-15)6-9-17(21)20(16)11-23-4/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,19,22)/t12-,13+/m1/s1
InChIKeyCVZPANZSTPJWRV-OLZOCXBDSA-N
MW318.42 g/mol
LogP3.19
Rot. Bonds6

About (2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide

(2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide (PubChem CID 99840589) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide
PubChem CID99840589
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide
SMILESCC[C@@H](C)[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2COC
InChIInChI=1S/C18H26N2O3/c1-5-12(2)13(3)18(22)19-15-7-8-16-14(10-15)6-9-17(21)20(16)11-23-4/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,19,22)/t12-,13+/m1/s1
InChIKeyCVZPANZSTPJWRV-OLZOCXBDSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide with MolForge

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Related Compounds

N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 97109094
2,2,3,3-tetrafluoro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]propanamide
CID 119050626
N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylpyrrole-2-carboxamide
CID 99840560
2-amino-3-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 120994000
(3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide
CID 99802618
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-benzothiophene-2-carboxamide
CID 91650934
2-chloro-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-5-nitrobenzamide
CID 86818262
2-(2-hydroxyphenyl)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide
CID 166213006
1-(3,4-dimethoxyphenyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376300
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926732

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide?
The IUPAC name of (2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide (CID 99840589) is (2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide.
What is the SMILES notation for (2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide?
The canonical SMILES for (2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide is CC[C@@H](C)[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2COC.
What is the InChIKey of (2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide?
The InChIKey is CVZPANZSTPJWRV-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-5-12(2)13(3)18(22)19-15-7-8-16-14(10-15)6-9-17(21)20(16)11-23-4/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,19,22)/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide?
(2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide has a molecular weight of 318.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2,3-dimethylpentanamide is sourced from PubChem (CID 99840589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).