2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one

C18H28N2O2 — CID 143343022

IUPAC2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
SMILESCC(N)C=O.CCc1ccc2c(c1)N(C(C)C(C)=O)CCC2
InChIInChI=1S/C15H21NO.C3H7NO/c1-4-13-7-8-14-6-5-9-16(15(14)10-13)11(2)12(3)17;1-3(4)2-5/h7-8,10-11H,4-6,9H2,1-3H3;2-3H,4H2,1H3
InChIKeyZVOIHJMRGXHXJE-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.51
Rot. Bonds4

About 2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one

2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one (PubChem CID 143343022) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one.

Molecular Properties

Compound Name2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
PubChem CID143343022
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
SMILESCC(N)C=O.CCc1ccc2c(c1)N(C(C)C(C)=O)CCC2
InChIInChI=1S/C15H21NO.C3H7NO/c1-4-13-7-8-14-6-5-9-16(15(14)10-13)11(2)12(3)17;1-3(4)2-5/h7-8,10-11H,4-6,9H2,1-3H3;2-3H,4H2,1H3
InChIKeyZVOIHJMRGXHXJE-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one with MolForge

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Related Compounds

2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
CID 170880165
2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanamine
CID 82263620
(Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione
CID 143345002
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 139697216
2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid
CID 115105876
2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
CID 82392679
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
(E)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)but-2-enoate
CID 18466796
2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxypropyl)propanamide
CID 62264814
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one?
The IUPAC name of 2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one (CID 143343022) is 2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one.
What is the SMILES notation for 2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one?
The canonical SMILES for 2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one is CC(N)C=O.CCc1ccc2c(c1)N(C(C)C(C)=O)CCC2.
What is the InChIKey of 2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one?
The InChIKey is ZVOIHJMRGXHXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C3H7NO/c1-4-13-7-8-14-6-5-9-16(15(14)10-13)11(2)12(3)17;1-3(4)2-5/h7-8,10-11H,4-6,9H2,1-3H3;2-3H,4H2,1H3.
What are the key properties of 2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one?
2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one has a molecular weight of 304.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanal;3-(7-ethyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one is sourced from PubChem (CID 143343022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).