3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide

C25H31N3O2 — CID 59428164

IUPAC3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCC1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1
InChIInChI=1S/C25H31N3O2/c1-28(20-8-4-2-5-9-20)24(29)15-12-18-16-19-17-22(13-14-23(19)27-25(18)26)30-21-10-6-3-7-11-21/h3,6-7,10-11,13-14,17-18,20H,2,4-5,8-9,12,15-16H2,1H3,(H2,26,27)
InChIKeyUCIFSXCZOVYWPX-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.21
Rot. Bonds6

About 3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide

3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide (PubChem CID 59428164) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
PubChem CID59428164
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
SMILESCN(C(=O)CCC1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1
InChIInChI=1S/C25H31N3O2/c1-28(20-8-4-2-5-9-20)24(29)15-12-18-16-19-17-22(13-14-23(19)27-25(18)26)30-21-10-6-3-7-11-21/h3,6-7,10-11,13-14,17-18,20H,2,4-5,8-9,12,15-16H2,1H3,(H2,26,27)
InChIKeyUCIFSXCZOVYWPX-UHFFFAOYSA-N
XLogP5.21
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide (CID 59428164) is 3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide is CN(C(=O)CCC1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1.
What is the InChIKey of 3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide?
The InChIKey is UCIFSXCZOVYWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-28(20-8-4-2-5-9-20)24(29)15-12-18-16-19-17-22(13-14-23(19)27-25(18)26)30-21-10-6-3-7-11-21/h3,6-7,10-11,13-14,17-18,20H,2,4-5,8-9,12,15-16H2,1H3,(H2,26,27).
What are the key properties of 3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide?
3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide has a molecular weight of 405.54 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-phenoxy-3,4-dihydroquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 59428164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).