5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

C21H20ClN3O4 — CID 10194504

IUPAC5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H20ClN3O4/c22-14-5-6-16-13(7-14)9-17(23-16)20(28)24-18-8-12-3-1-2-4-19(12)25(21(18)29)10-15(27)11-26/h1-7,9,15,18,23,26-27H,8,10-11H2,(H,24,28)/t15-,18?/m1/s1
InChIKeyBANRVMJUSXDIBF-NNJIEVJOSA-N
MW413.86 g/mol
LogP1.86
Rot. Bonds5

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

5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (PubChem CID 10194504) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is 5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
PubChem CID10194504
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H20ClN3O4/c22-14-5-6-16-13(7-14)9-17(23-16)20(28)24-18-8-12-3-1-2-4-19(12)25(21(18)29)10-15(27)11-26/h1-7,9,15,18,23,26-27H,8,10-11H2,(H,24,28)/t15-,18?/m1/s1
InChIKeyBANRVMJUSXDIBF-NNJIEVJOSA-N
XLogP1.86
TPSA105.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 51.86
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-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (CID 10194504) is 5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is O=C(NC1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is BANRVMJUSXDIBF-NNJIEVJOSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c22-14-5-6-16-13(7-14)9-17(23-16)20(28)24-18-8-12-3-1-2-4-19(12)25(21(18)29)10-15(27)11-26/h1-7,9,15,18,23,26-27H,8,10-11H2,(H,24,28)/t15-,18?/m1/s1.
What are the key properties of 5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 413.86 g/mol, XLogP of 1.86, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10194504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).