5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

C23H30N4O5 — CID 41010066

IUPAC5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)CCNC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C23H30N4O5/c1-3-26-9-5-6-15(26)12-25-21(28)7-8-24-23(30)17-13-27(4-2)18-11-20-19(31-14-32-20)10-16(18)22(17)29/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,24,30)(H,25,28)/t15-/m0/s1
InChIKeyHTDUSXVSSHKMRR-HNNXBMFYSA-N
MW442.52 g/mol
LogP1.47
Rot. Bonds8

About 5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide (PubChem CID 41010066) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
PubChem CID41010066
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)CCNC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C23H30N4O5/c1-3-26-9-5-6-15(26)12-25-21(28)7-8-24-23(30)17-13-27(4-2)18-11-20-19(31-14-32-20)10-16(18)22(17)29/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,24,30)(H,25,28)/t15-/m0/s1
InChIKeyHTDUSXVSSHKMRR-HNNXBMFYSA-N
XLogP1.47
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide with MolForge

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Related Compounds

3-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoic acid
CID 8022644
methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 14852082
methyl 2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoate
CID 78595997
cyclohexylmethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 143573658
5-ethyl-N-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
CID 73401790
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-benzodioxole-4-carboxamide
CID 54166911
N-[3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 97265478
1-cyclopropyl-7-[4-[2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]acetyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 122186965
5-ethyl-N-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
CID 73401839
N-(1,3-benzodioxol-5-ylmethyl)-6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859318
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30131932
methyl (2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-phenylpropanoate
CID 56698811

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide?
The IUPAC name of 5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide (CID 41010066) is 5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide is CCN1CCC[C@H]1CNC(=O)CCNC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3.
What is the InChIKey of 5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide?
The InChIKey is HTDUSXVSSHKMRR-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-3-26-9-5-6-15(26)12-25-21(28)7-8-24-23(30)17-13-27(4-2)18-11-20-19(31-14-32-20)10-16(18)22(17)29/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,24,30)(H,25,28)/t15-/m0/s1.
What are the key properties of 5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide?
5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-3-oxopropyl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide is sourced from PubChem (CID 41010066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).