11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide

C22H20ClN3O6 — CID 139232119

IUPAC11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide
SMILESO=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O)c1ccc2[nH]c3c(Cl)c4ccccc4nc3c2c1
InChIInChI=1S/C22H20ClN3O6/c23-15-10-3-1-2-4-12(10)24-16-11-7-9(5-6-13(11)25-17(15)16)21(30)26-18-20(29)19(28)14(8-27)32-22(18)31/h1-7,14,18-20,22,25,27-29,31H,8H2,(H,26,30)/t14-,18-,19-,20-,22-/m1/s1
InChIKeySTWLVEVJEDBCNL-AXFVVHPYSA-N
MW457.87 g/mol
LogP1.05
Rot. Bonds3

About 11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide

11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide (PubChem CID 139232119) has the molecular formula C22H20ClN3O6 and a molecular weight of 457.87 g/mol. Its IUPAC name is 11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide.

Molecular Properties

Compound Name11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide
PubChem CID139232119
Molecular FormulaC22H20ClN3O6
Molecular Weight457.87 g/mol
Exact Mass457.10
IUPAC Name11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide
SMILESO=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O)c1ccc2[nH]c3c(Cl)c4ccccc4nc3c2c1
InChIInChI=1S/C22H20ClN3O6/c23-15-10-3-1-2-4-12(10)24-16-11-7-9(5-6-13(11)25-17(15)16)21(30)26-18-20(29)19(28)14(8-27)32-22(18)31/h1-7,14,18-20,22,25,27-29,31H,8H2,(H,26,30)/t14-,18-,19-,20-,22-/m1/s1
InChIKeySTWLVEVJEDBCNL-AXFVVHPYSA-N
XLogP1.05
TPSA147.93 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.87
LogP ≤ 51.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide?
The IUPAC name of 11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide (CID 139232119) is 11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide.
What is the SMILES notation for 11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide?
The canonical SMILES for 11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide is O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O)c1ccc2[nH]c3c(Cl)c4ccccc4nc3c2c1.
What is the InChIKey of 11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide?
The InChIKey is STWLVEVJEDBCNL-AXFVVHPYSA-N. The full InChI is InChI=1S/C22H20ClN3O6/c23-15-10-3-1-2-4-12(10)24-16-11-7-9(5-6-13(11)25-17(15)16)21(30)26-18-20(29)19(28)14(8-27)32-22(18)31/h1-7,14,18-20,22,25,27-29,31H,8H2,(H,26,30)/t14-,18-,19-,20-,22-/m1/s1.
What are the key properties of 11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide?
11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide has a molecular weight of 457.87 g/mol, XLogP of 1.05, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-10H-indolo[3,2-b]quinoline-7-carboxamide is sourced from PubChem (CID 139232119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).