(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone

C28H32N2O — CID 3507028

IUPAC(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2c3ccccc3C(Nc3ccccc3)C(C)C2CC)cc1
InChIInChI=1S/C28H32N2O/c1-4-11-21-16-18-22(19-17-21)28(31)30-25(5-2)20(3)27(24-14-9-10-15-26(24)30)29-23-12-7-6-8-13-23/h6-10,12-20,25,27,29H,4-5,11H2,1-3H3
InChIKeyJAOGGJZRZKWTLZ-UHFFFAOYSA-N
MW412.58 g/mol
LogP6.87
Rot. Bonds6

About (4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone

(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone (PubChem CID 3507028) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is (4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone
PubChem CID3507028
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2c3ccccc3C(Nc3ccccc3)C(C)C2CC)cc1
InChIInChI=1S/C28H32N2O/c1-4-11-21-16-18-22(19-17-21)28(31)30-25(5-2)20(3)27(24-14-9-10-15-26(24)30)29-23-12-7-6-8-13-23/h6-10,12-20,25,27,29H,4-5,11H2,1-3H3
InChIKeyJAOGGJZRZKWTLZ-UHFFFAOYSA-N
XLogP6.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone?
The IUPAC name of (4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone (CID 3507028) is (4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone.
What is the SMILES notation for (4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone?
The canonical SMILES for (4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)N2c3ccccc3C(Nc3ccccc3)C(C)C2CC)cc1.
What is the InChIKey of (4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone?
The InChIKey is JAOGGJZRZKWTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-4-11-21-16-18-22(19-17-21)28(31)30-25(5-2)20(3)27(24-14-9-10-15-26(24)30)29-23-12-7-6-8-13-23/h6-10,12-20,25,27,29H,4-5,11H2,1-3H3.
What are the key properties of (4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone?
(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone has a molecular weight of 412.58 g/mol, XLogP of 6.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone is sourced from PubChem (CID 3507028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).