ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate

C16H24N2O2 — CID 63465644

IUPACethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
SMILESCCOC(=O)C(N)CCN1CC(C)Cc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-3-20-16(19)14(17)8-9-18-11-12(2)10-13-6-4-5-7-15(13)18/h4-7,12,14H,3,8-11,17H2,1-2H3
InChIKeyYWVWKSKXPKPHCJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.97
Rot. Bonds5

About ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate

ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate (PubChem CID 63465644) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
PubChem CID63465644
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
SMILESCCOC(=O)C(N)CCN1CC(C)Cc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-3-20-16(19)14(17)8-9-18-11-12(2)10-13-6-4-5-7-15(13)18/h4-7,12,14H,3,8-11,17H2,1-2H3
InChIKeyYWVWKSKXPKPHCJ-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide
CID 63466348
2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
CID 64791398
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63466530
1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64818927
ethyl (E)-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-enoate
CID 80549810
2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 81080032
(2R)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-2-amine
CID 112736704
2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 63531142
5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 63404154
4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 63484285
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate?
The IUPAC name of ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate (CID 63465644) is ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate?
The canonical SMILES for ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate is CCOC(=O)C(N)CCN1CC(C)Cc2ccccc21.
What is the InChIKey of ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate?
The InChIKey is YWVWKSKXPKPHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-16(19)14(17)8-9-18-11-12(2)10-13-6-4-5-7-15(13)18/h4-7,12,14H,3,8-11,17H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate?
ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate has a molecular weight of 276.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate is sourced from PubChem (CID 63465644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).