(4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H26N4O3 — CID 95120815

IUPAC(4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)[C@@H]2CC(=O)Nc3ccc(OC)cc32)c1C
InChIInChI=1S/C20H26N4O3/c1-5-15-12(2)23-24(13(15)3)9-8-21-20(26)17-11-19(25)22-18-7-6-14(27-4)10-16(17)18/h6-7,10,17H,5,8-9,11H2,1-4H3,(H,21,26)(H,22,25)/t17-/m1/s1
InChIKeyPLPVERFOKGSUOB-QGZVFWFLSA-N
MW370.45 g/mol
LogP2.31
Rot. Bonds6

About (4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 95120815) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID95120815
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)[C@@H]2CC(=O)Nc3ccc(OC)cc32)c1C
InChIInChI=1S/C20H26N4O3/c1-5-15-12(2)23-24(13(15)3)9-8-21-20(26)17-11-19(25)22-18-7-6-14(27-4)10-16(17)18/h6-7,10,17H,5,8-9,11H2,1-4H3,(H,21,26)(H,22,25)/t17-/m1/s1
InChIKeyPLPVERFOKGSUOB-QGZVFWFLSA-N
XLogP2.31
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97157046
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70729514
(4S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97127436
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70767350
(4R)-6-methoxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97144072
(4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97147593
6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70773066
(4S)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97132022
6-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70752855
ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate
CID 97124904
(4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97123757
5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70783327

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 95120815) is (4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCc1c(C)nn(CCNC(=O)[C@@H]2CC(=O)Nc3ccc(OC)cc32)c1C.
What is the InChIKey of (4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is PLPVERFOKGSUOB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-15-12(2)23-24(13(15)3)9-8-21-20(26)17-11-19(25)22-18-7-6-14(27-4)10-16(17)18/h6-7,10,17H,5,8-9,11H2,1-4H3,(H,21,26)(H,22,25)/t17-/m1/s1.
What are the key properties of (4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 95120815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).