N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

C26H26N2O3 — CID 21093066

IUPACN-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C26H26N2O3/c1-3-25(30)28(20-9-5-4-6-10-20)24-17-18(2)27(23-12-8-7-11-22(23)24)26(31)19-13-15-21(29)16-14-19/h4-16,18,24,29H,3,17H2,1-2H3/t18-,24+/m1/s1
InChIKeyWCEFFEJYWIFELI-KOSHJBKYSA-N
MW414.51 g/mol
LogP5.32
Rot. Bonds4

About N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (PubChem CID 21093066) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
PubChem CID21093066
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C26H26N2O3/c1-3-25(30)28(20-9-5-4-6-10-20)24-17-18(2)27(23-12-8-7-11-22(23)24)26(31)19-13-15-21(29)16-14-19/h4-16,18,24,29H,3,17H2,1-2H3/t18-,24+/m1/s1
InChIKeyWCEFFEJYWIFELI-KOSHJBKYSA-N
XLogP5.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (CID 21093066) is N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The InChIKey is WCEFFEJYWIFELI-KOSHJBKYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-3-25(30)28(20-9-5-4-6-10-20)24-17-18(2)27(23-12-8-7-11-22(23)24)26(31)19-13-15-21(29)16-14-19/h4-16,18,24,29H,3,17H2,1-2H3/t18-,24+/m1/s1.
What are the key properties of N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide has a molecular weight of 414.51 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 21093066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).