5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

C22H22ClN3O4 — CID 10310138

IUPAC5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C22H22ClN3O4/c23-16-5-6-17-15(7-16)9-18(24-17)21(29)25-19-8-14-3-1-2-4-20(14)26(22(19)30)10-13(11-27)12-28/h1-7,9,13,19,24,27-28H,8,10-12H2,(H,25,29)
InChIKeyOJDVPOOGBKNXRM-UHFFFAOYSA-N
MW427.89 g/mol
LogP2.11
Rot. Bonds6

About 5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (PubChem CID 10310138) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is 5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
PubChem CID10310138
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Name5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C22H22ClN3O4/c23-16-5-6-17-15(7-16)9-18(24-17)21(29)25-19-8-14-3-1-2-4-20(14)26(22(19)30)10-13(11-27)12-28/h1-7,9,13,19,24,27-28H,8,10-12H2,(H,25,29)
InChIKeyOJDVPOOGBKNXRM-UHFFFAOYSA-N
XLogP2.11
TPSA105.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (CID 10310138) is 5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is O=C(NC1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is OJDVPOOGBKNXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c23-16-5-6-17-15(7-16)9-18(24-17)21(29)25-19-8-14-3-1-2-4-20(14)26(22(19)30)10-13(11-27)12-28/h1-7,9,13,19,24,27-28H,8,10-12H2,(H,25,29).
What are the key properties of 5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10310138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).