butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate

C24H34N4O7S — CID 68938862

IUPACbutanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate
SMILESCCCC(=O)O.CN(CCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H26N4O5S.C4H8O2/c1-20(2,3)29-19(26)23(4)10-11-24(5)30(27,28)13-6-7-16-15(12-13)14-8-9-21-17(14)18(25)22-16;1-2-3-4(5)6/h6-9,12,21H,10-11H2,1-5H3,(H,22,25);2-3H2,1H3,(H,5,6)
InChIKeyKOYVSVOIFABSND-UHFFFAOYSA-N
MW522.62 g/mol
LogP3.37
Rot. Bonds7

About butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate

butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate (PubChem CID 68938862) has the molecular formula C24H34N4O7S and a molecular weight of 522.62 g/mol. Its IUPAC name is butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namebutanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate
PubChem CID68938862
Molecular FormulaC24H34N4O7S
Molecular Weight522.62 g/mol
Exact Mass522.21
IUPAC Namebutanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate
SMILESCCCC(=O)O.CN(CCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H26N4O5S.C4H8O2/c1-20(2,3)29-19(26)23(4)10-11-24(5)30(27,28)13-6-7-16-15(12-13)14-8-9-21-17(14)18(25)22-16;1-2-3-4(5)6/h6-9,12,21H,10-11H2,1-5H3,(H,22,25);2-3H2,1H3,(H,5,6)
InChIKeyKOYVSVOIFABSND-UHFFFAOYSA-N
XLogP3.37
TPSA152.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.62
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butanoic acid;tert-butyl N-[2-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl-prop-2-ynylamino]ethyl]-N-propan-2-ylcarbamate
CID 87628940
butanoic acid;N-(2-hydroxyethyl)-4-oxo-N-propan-2-yl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68934630
N-methyl-N-[2-(methylamino)ethyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68938446
butanoic acid;N-ethyl-4-oxo-N-[(3S)-pyrrolidin-3-yl]-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide;hydrochloride
CID 68935769
4-[8-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid
CID 68934463
8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68562980
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride
CID 87717212
tert-butyl N-[4-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)phenyl]carbamate
CID 68939473
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68937970
N-methyl-4-oxo-N-(thian-4-yl)-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68934633
8-benzylsulfanyl-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoate
CID 86627549
4-oxo-N-[2-(propan-2-ylamino)ethyl]-N-prop-2-ynyl-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 87629038

Frequently Asked Questions

What is the IUPAC name of butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate?
The IUPAC name of butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate (CID 68938862) is butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate.
What is the SMILES notation for butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate?
The canonical SMILES for butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate is CCCC(=O)O.CN(CCN(C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1)C(=O)OC(C)(C)C.
What is the InChIKey of butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate?
The InChIKey is KOYVSVOIFABSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S.C4H8O2/c1-20(2,3)29-19(26)23(4)10-11-24(5)30(27,28)13-6-7-16-15(12-13)14-8-9-21-17(14)18(25)22-16;1-2-3-4(5)6/h6-9,12,21H,10-11H2,1-5H3,(H,22,25);2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate?
butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate has a molecular weight of 522.62 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;tert-butyl N-methyl-N-[2-[methyl-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]ethyl]carbamate is sourced from PubChem (CID 68938862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).