5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide

C22H21N3O2 — CID 56889219

IUPAC5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cccc3ncccc23)c2cc(O)ccc2n1C
InChIInChI=1S/C22H21N3O2/c1-14-21(18-12-16(26)9-10-20(18)25(14)3)22(27)24(2)13-15-6-4-8-19-17(15)7-5-11-23-19/h4-12,26H,13H2,1-3H3
InChIKeyMRGCRVPYCGEKMD-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.01
Rot. Bonds3

About 5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide

5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide (PubChem CID 56889219) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide
PubChem CID56889219
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cccc3ncccc23)c2cc(O)ccc2n1C
InChIInChI=1S/C22H21N3O2/c1-14-21(18-12-16(26)9-10-20(18)25(14)3)22(27)24(2)13-15-6-4-8-19-17(15)7-5-11-23-19/h4-12,26H,13H2,1-3H3
InChIKeyMRGCRVPYCGEKMD-UHFFFAOYSA-N
XLogP4.01
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide?
The IUPAC name of 5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide (CID 56889219) is 5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide is Cc1c(C(=O)N(C)Cc2cccc3ncccc23)c2cc(O)ccc2n1C.
What is the InChIKey of 5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide?
The InChIKey is MRGCRVPYCGEKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-21(18-12-16(26)9-10-20(18)25(14)3)22(27)24(2)13-15-6-4-8-19-17(15)7-5-11-23-19/h4-12,26H,13H2,1-3H3.
What are the key properties of 5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide?
5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 56889219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).