1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine

C21H26N2 — CID 142882819

IUPAC1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine
SMILESC=C(C)N(c1ccccc1)C1CC(C)N(CC)c2ccccc21
InChIInChI=1S/C21H26N2/c1-5-22-17(4)15-21(19-13-9-10-14-20(19)22)23(16(2)3)18-11-7-6-8-12-18/h6-14,17,21H,2,5,15H2,1,3-4H3
InChIKeyCYPKRAUPPINXQA-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.39
Rot. Bonds4

About 1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine

1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 142882819) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID142882819
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine
SMILESC=C(C)N(c1ccccc1)C1CC(C)N(CC)c2ccccc21
InChIInChI=1S/C21H26N2/c1-5-22-17(4)15-21(19-13-9-10-14-20(19)22)23(16(2)3)18-11-7-6-8-12-18/h6-14,17,21H,2,5,15H2,1,3-4H3
InChIKeyCYPKRAUPPINXQA-UHFFFAOYSA-N
XLogP5.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine (CID 142882819) is 1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine is C=C(C)N(c1ccccc1)C1CC(C)N(CC)c2ccccc21.
What is the InChIKey of 1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is CYPKRAUPPINXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-5-22-17(4)15-21(19-13-9-10-14-20(19)22)23(16(2)3)18-11-7-6-8-12-18/h6-14,17,21H,2,5,15H2,1,3-4H3.
What are the key properties of 1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine?
1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 306.45 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 142882819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).