4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide

C22H20FN5O4 — CID 11407953

IUPAC4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide
SMILESNC(=O)CC(O)CNC(=O)Nc1ccc2cc(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2c1
InChIInChI=1S/C22H20FN5O4/c23-16-2-1-3-17-14(16)9-15(21(31)28-17)19-6-11-4-5-12(7-18(11)27-19)26-22(32)25-10-13(29)8-20(24)30/h1-7,9,13,27,29H,8,10H2,(H2,24,30)(H,28,31)(H2,25,26,32)
InChIKeySGXRBWIJJZBHEF-UHFFFAOYSA-N
MW437.43 g/mol
LogP2.17
Rot. Bonds6

About 4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide

4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide (PubChem CID 11407953) has the molecular formula C22H20FN5O4 and a molecular weight of 437.43 g/mol. Its IUPAC name is 4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide.

Molecular Properties

Compound Name4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide
PubChem CID11407953
Molecular FormulaC22H20FN5O4
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide
SMILESNC(=O)CC(O)CNC(=O)Nc1ccc2cc(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2c1
InChIInChI=1S/C22H20FN5O4/c23-16-2-1-3-17-14(16)9-15(21(31)28-17)19-6-11-4-5-12(7-18(11)27-19)26-22(32)25-10-13(29)8-20(24)30/h1-7,9,13,27,29H,8,10H2,(H2,24,30)(H,28,31)(H2,25,26,32)
InChIKeySGXRBWIJJZBHEF-UHFFFAOYSA-N
XLogP2.17
TPSA153.10 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.43
LogP ≤ 52.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide with MolForge

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea
CID 110618975
N-[4-[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-imidazol-5-yl]phenyl]acetamide
CID 142689243
N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide
CID 155589240
N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide
CID 46935281
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384330
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
1-(4-fluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380896
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide
CID 111451520
1-[2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-(1H-indol-6-yl)urea
CID 167907490
1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
CID 155589332

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide?
The IUPAC name of 4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide (CID 11407953) is 4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide.
What is the SMILES notation for 4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide?
The canonical SMILES for 4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide is NC(=O)CC(O)CNC(=O)Nc1ccc2cc(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2c1.
What is the InChIKey of 4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide?
The InChIKey is SGXRBWIJJZBHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4/c23-16-2-1-3-17-14(16)9-15(21(31)28-17)19-6-11-4-5-12(7-18(11)27-19)26-22(32)25-10-13(29)8-20(24)30/h1-7,9,13,27,29H,8,10H2,(H2,24,30)(H,28,31)(H2,25,26,32).
What are the key properties of 4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide?
4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide has a molecular weight of 437.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]carbamoylamino]-3-hydroxybutanamide is sourced from PubChem (CID 11407953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).