2-(4-ethyl-3-methylquinolin-2-yl)aniline

C18H18N2 — CID 134843455

IUPAC2-(4-ethyl-3-methylquinolin-2-yl)aniline
SMILESCCc1c(C)c(-c2ccccc2N)nc2ccccc12
InChIInChI=1S/C18H18N2/c1-3-13-12(2)18(15-9-4-6-10-16(15)19)20-17-11-7-5-8-14(13)17/h4-11H,3,19H2,1-2H3
InChIKeyXQXQQQHISGIEIX-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.35
Rot. Bonds2

About 2-(4-ethyl-3-methylquinolin-2-yl)aniline

2-(4-ethyl-3-methylquinolin-2-yl)aniline (PubChem CID 134843455) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylquinolin-2-yl)aniline.

Molecular Properties

Compound Name2-(4-ethyl-3-methylquinolin-2-yl)aniline
PubChem CID134843455
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-(4-ethyl-3-methylquinolin-2-yl)aniline
SMILESCCc1c(C)c(-c2ccccc2N)nc2ccccc12
InChIInChI=1S/C18H18N2/c1-3-13-12(2)18(15-9-4-6-10-16(15)19)20-17-11-7-5-8-14(13)17/h4-11H,3,19H2,1-2H3
InChIKeyXQXQQQHISGIEIX-UHFFFAOYSA-N
XLogP4.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-ethylquinolin-2-yl)-dimethylazanium
CID 1394213
4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid
CID 69016708
3-ethyl-2-N,2-N-dimethylquinoline-2,4-diamine
CID 910757
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
2-fluoro-3-methylquinolin-4-amine
CID 141294686
3-phenanthridin-6-ylbenzene-1,2-diamine
CID 68807409
4-ethyl-2-methylquinoline-3-carboxamide
CID 167809004
2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid
CID 21283577
4-methyl-2-phenyl-3-propylquinoline
CID 39902639
3-methyl-2-(1-methylindazol-4-yl)quinolin-4-amine
CID 142789179
9-butylacridine
CID 606127
4-ethyl-2-methylquinoline-3-carbaldehyde
CID 178074817

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylquinolin-2-yl)aniline?
The IUPAC name of 2-(4-ethyl-3-methylquinolin-2-yl)aniline (CID 134843455) is 2-(4-ethyl-3-methylquinolin-2-yl)aniline.
What is the SMILES notation for 2-(4-ethyl-3-methylquinolin-2-yl)aniline?
The canonical SMILES for 2-(4-ethyl-3-methylquinolin-2-yl)aniline is CCc1c(C)c(-c2ccccc2N)nc2ccccc12.
What is the InChIKey of 2-(4-ethyl-3-methylquinolin-2-yl)aniline?
The InChIKey is XQXQQQHISGIEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-13-12(2)18(15-9-4-6-10-16(15)19)20-17-11-7-5-8-14(13)17/h4-11H,3,19H2,1-2H3.
What are the key properties of 2-(4-ethyl-3-methylquinolin-2-yl)aniline?
2-(4-ethyl-3-methylquinolin-2-yl)aniline has a molecular weight of 262.36 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylquinolin-2-yl)aniline is sourced from PubChem (CID 134843455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).