methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate

C19H27N3O2 — CID 110432531

IUPACmethyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate
SMILESCCN(CC)CCNc1c(CC(=O)OC)c(C)nc2ccccc12
InChIInChI=1S/C19H27N3O2/c1-5-22(6-2)12-11-20-19-15-9-7-8-10-17(15)21-14(3)16(19)13-18(23)24-4/h7-10H,5-6,11-13H2,1-4H3,(H,20,21)
InChIKeyZKTXOVXLQPOYAB-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.01
Rot. Bonds8

About methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate

methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate (PubChem CID 110432531) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate
PubChem CID110432531
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Namemethyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate
SMILESCCN(CC)CCNc1c(CC(=O)OC)c(C)nc2ccccc12
InChIInChI=1S/C19H27N3O2/c1-5-22(6-2)12-11-20-19-15-9-7-8-10-17(15)21-14(3)16(19)13-18(23)24-4/h7-10H,5-6,11-13H2,1-4H3,(H,20,21)
InChIKeyZKTXOVXLQPOYAB-UHFFFAOYSA-N
XLogP3.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(butylamino)-2-methylquinolin-3-yl]acetate
CID 110432495
methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
CID 110432509
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432578
methyl 2-[2-methyl-4-[(1-phenylcyclopropyl)amino]quinolin-3-yl]acetate
CID 110433162
methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
CID 110435937
methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 45052613

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate (CID 110432531) is methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate is CCN(CC)CCNc1c(CC(=O)OC)c(C)nc2ccccc12.
What is the InChIKey of methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate?
The InChIKey is ZKTXOVXLQPOYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-5-22(6-2)12-11-20-19-15-9-7-8-10-17(15)21-14(3)16(19)13-18(23)24-4/h7-10H,5-6,11-13H2,1-4H3,(H,20,21).
What are the key properties of methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate?
methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate has a molecular weight of 329.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate is sourced from PubChem (CID 110432531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).