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

C24H32N4O5 — CID 73401790

IUPAC5-ethyl-N-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
SMILESCCn1cc(C(=O)NC(CC(C)C)C(=O)N2CCN(C)CC2)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C24H32N4O5/c1-5-27-13-17(22(29)16-11-20-21(12-19(16)27)33-14-32-20)23(30)25-18(10-15(2)3)24(31)28-8-6-26(4)7-9-28/h11-13,15,18H,5-10,14H2,1-4H3,(H,25,30)
InChIKeyLDSHOXJGBDONLM-UHFFFAOYSA-N
MW456.54 g/mol
LogP1.67
Rot. Bonds6

About 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

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 (PubChem CID 73401790) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-ethyl-N-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
PubChem CID73401790
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name5-ethyl-N-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
SMILESCCn1cc(C(=O)NC(CC(C)C)C(=O)N2CCN(C)CC2)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C24H32N4O5/c1-5-27-13-17(22(29)16-11-20-21(12-19(16)27)33-14-32-20)23(30)25-18(10-15(2)3)24(31)28-8-6-26(4)7-9-28/h11-13,15,18H,5-10,14H2,1-4H3,(H,25,30)
InChIKeyLDSHOXJGBDONLM-UHFFFAOYSA-N
XLogP1.67
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

5-ethyl-N-[1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
CID 56737605
methyl 2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoate
CID 78595997
methyl 1-[2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-4-methylsulfanylbutanoyl]piperidine-4-carboxylate
CID 73257046
1-ethyl-7-[4-[(2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-(1H-indol-3-yl)propanoyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 122186982
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
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
5-ethyl-N-[(2R)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
CID 51523205
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
5-ethyl-N-[(2S,3S)-1-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
CID 40854326
2-morpholin-4-ylethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 15048132
5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 142567545

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1cc(C(=O)NC(CC(C)C)C(=O)N2CCN(C)CC2)c(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of 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?
The InChIKey is LDSHOXJGBDONLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-5-27-13-17(22(29)16-11-20-21(12-19(16)27)33-14-32-20)23(30)25-18(10-15(2)3)24(31)28-8-6-26(4)7-9-28/h11-13,15,18H,5-10,14H2,1-4H3,(H,25,30).
What are the key properties of 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?
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 has a molecular weight of 456.54 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 73401790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).