[1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol

C22H23N3O — CID 166636150

IUPAC[1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol
SMILESCCn1c(CO)cc2cc(N(C)c3cc(C)nc4ccccc34)ccc21
InChIInChI=1S/C22H23N3O/c1-4-25-18(14-26)13-16-12-17(9-10-21(16)25)24(3)22-11-15(2)23-20-8-6-5-7-19(20)22/h5-13,26H,4,14H2,1-3H3
InChIKeyDZTLZDNUYONCNP-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.78
Rot. Bonds4

About [1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol

[1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol (PubChem CID 166636150) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol
PubChem CID166636150
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol
SMILESCCn1c(CO)cc2cc(N(C)c3cc(C)nc4ccccc34)ccc21
InChIInChI=1S/C22H23N3O/c1-4-25-18(14-26)13-16-12-17(9-10-21(16)25)24(3)22-11-15(2)23-20-8-6-5-7-19(20)22/h5-13,26H,4,14H2,1-3H3
InChIKeyDZTLZDNUYONCNP-UHFFFAOYSA-N
XLogP4.78
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ML354
CID 752812
[1-Ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol
CID 166630507
[1-(methoxymethyl)-1H-indol-2-yl](phenyl)methanol
CID 11842269
1-[9-Methyl-6-[methyl-(2-methylquinolin-4-yl)amino]carbazol-3-yl]ethanol
CID 152213735
1-(4-Fluoro-phenyl)-4-(5-methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-butan-1-ol
CID 44351077
4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1-(4-fluorophenyl)butan-1-ol
CID 44372860
1-[Hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile
CID 44562675
[4-[1-(1-Methylindol-5-yl)ethenyl]quinolin-2-yl]methanol
CID 155554830
N-[2-(methoxymethyl)-1-methylindol-5-yl]-N,2-dimethylquinolin-4-amine
CID 166626552
N-methyl-N-(2-methylquinolin-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-8-amine
CID 166627040
[1-Ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol
CID 166628020
8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 166628425

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol?
The IUPAC name of [1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol (CID 166636150) is [1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol.
What is the SMILES notation for [1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol?
The canonical SMILES for [1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol is CCn1c(CO)cc2cc(N(C)c3cc(C)nc4ccccc34)ccc21.
What is the InChIKey of [1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol?
The InChIKey is DZTLZDNUYONCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-4-25-18(14-26)13-16-12-17(9-10-21(16)25)24(3)22-11-15(2)23-20-8-6-5-7-19(20)22/h5-13,26H,4,14H2,1-3H3.
What are the key properties of [1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol?
[1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol has a molecular weight of 345.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[methyl-(2-methylquinolin-4-yl)amino]indol-2-yl]methanol is sourced from PubChem (CID 166636150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).