N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide

C26H24N2O2 — CID 1084506

IUPACN-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
SMILESCc1ccc([C@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C26H24N2O2/c1-18-9-12-21(13-10-18)24(28-23(29)16-11-19-6-3-2-4-7-19)22-15-14-20-8-5-17-27-25(20)26(22)30/h2-10,12-15,17,24,30H,11,16H2,1H3,(H,28,29)/t24-/m0/s1
InChIKeyNTOMTWHLAMHYRJ-DEOSSOPVSA-N
MW396.49 g/mol
LogP5.09
Rot. Bonds6

About N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide

N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide (PubChem CID 1084506) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
PubChem CID1084506
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
SMILESCc1ccc([C@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C26H24N2O2/c1-18-9-12-21(13-10-18)24(28-23(29)16-11-19-6-3-2-4-7-19)22-15-14-20-8-5-17-27-25(20)26(22)30/h2-10,12-15,17,24,30H,11,16H2,1H3,(H,28,29)/t24-/m0/s1
InChIKeyNTOMTWHLAMHYRJ-DEOSSOPVSA-N
XLogP5.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 1084516
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 1118804
N-[(8-hydroxyquinolin-7-yl)-(4-pyridin-2-ylphenyl)methyl]-3-methylbutanamide
CID 57383852
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide
CID 2876998
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide
CID 146474984
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 6550405

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide (CID 1084506) is N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide is Cc1ccc([C@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide?
The InChIKey is NTOMTWHLAMHYRJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-18-9-12-21(13-10-18)24(28-23(29)16-11-19-6-3-2-4-7-19)22-15-14-20-8-5-17-27-25(20)26(22)30/h2-10,12-15,17,24,30H,11,16H2,1H3,(H,28,29)/t24-/m0/s1.
What are the key properties of N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide?
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide has a molecular weight of 396.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 1084506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).