[(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone

C24H26N2O2 — CID 126423353

IUPAC[(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone
SMILESCc1cc(-c2ccc(C(=O)N3CCC[C@@](C)(O)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C24H26N2O2/c1-17-16-21(20-6-3-4-7-22(20)25-17)18-8-10-19(11-9-18)23(27)26-14-5-12-24(2,28)13-15-26/h3-4,6-11,16,28H,5,12-15H2,1-2H3/t24-/m1/s1
InChIKeyJWXIITACRPASKM-XMMPIXPASA-N
MW374.48 g/mol
LogP4.59
Rot. Bonds2

About [(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone

[(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone (PubChem CID 126423353) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is [(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone
PubChem CID126423353
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name[(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone
SMILESCc1cc(-c2ccc(C(=O)N3CCC[C@@](C)(O)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C24H26N2O2/c1-17-16-21(20-6-3-4-7-22(20)25-17)18-8-10-19(11-9-18)23(27)26-14-5-12-24(2,28)13-15-26/h3-4,6-11,16,28H,5,12-15H2,1-2H3/t24-/m1/s1
InChIKeyJWXIITACRPASKM-XMMPIXPASA-N
XLogP4.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone with MolForge

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Related Compounds

(4-hydroxy-4-methylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107408930
3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126783335
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81109203
(3-amino-4-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403478
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403497
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 107406442
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(4-hydroxy-4-methylazepan-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 107406469
(3-chloro-4-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404892

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone?
The IUPAC name of [(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone (CID 126423353) is [(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone.
What is the SMILES notation for [(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone?
The canonical SMILES for [(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone is Cc1cc(-c2ccc(C(=O)N3CCC[C@@](C)(O)CC3)cc2)c2ccccc2n1.
What is the InChIKey of [(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone?
The InChIKey is JWXIITACRPASKM-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17-16-21(20-6-3-4-7-22(20)25-17)18-8-10-19(11-9-18)23(27)26-14-5-12-24(2,28)13-15-26/h3-4,6-11,16,28H,5,12-15H2,1-2H3/t24-/m1/s1.
What are the key properties of [(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone?
[(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone has a molecular weight of 374.48 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-hydroxy-4-methylazepan-1-yl]-[4-(2-methylquinolin-4-yl)phenyl]methanone is sourced from PubChem (CID 126423353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).