N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine

C21H21N3O — CID 110432899

IUPACN-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NCCc3c[nH]c4ccccc34)cc(C)nc2c1
InChIInChI=1S/C21H21N3O/c1-14-11-20(18-8-7-16(25-2)12-21(18)24-14)22-10-9-15-13-23-19-6-4-3-5-17(15)19/h3-8,11-13,23H,9-10H2,1-2H3,(H,22,24)
InChIKeyYUGAHGYYAWUZPO-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.69
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine

N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine (PubChem CID 110432899) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
PubChem CID110432899
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NCCc3c[nH]c4ccccc34)cc(C)nc2c1
InChIInChI=1S/C21H21N3O/c1-14-11-20(18-8-7-16(25-2)12-21(18)24-14)22-10-9-15-13-23-19-6-4-3-5-17(15)19/h3-8,11-13,23H,9-10H2,1-2H3,(H,22,24)
InChIKeyYUGAHGYYAWUZPO-UHFFFAOYSA-N
XLogP4.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918561
4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 11317125
7-methoxy-2-methyl-N-(3-propan-2-yloxypropyl)quinolin-4-amine
CID 110432904
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 143202760
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
N-(2,2-dimethoxyethyl)-7-methoxy-2-methylquinolin-4-amine
CID 110432925
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline
CID 167890692
N-tert-butyl-7-methoxy-2-methylquinolin-4-amine
CID 110433200
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine
CID 119125508

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine (CID 110432899) is N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine is COc1ccc2c(NCCc3c[nH]c4ccccc34)cc(C)nc2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine?
The InChIKey is YUGAHGYYAWUZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-11-20(18-8-7-16(25-2)12-21(18)24-14)22-10-9-15-13-23-19-6-4-3-5-17(15)19/h3-8,11-13,23H,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine?
N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine has a molecular weight of 331.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 110432899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).