N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide

C22H24N2O3 — CID 97071690

IUPACN-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCOc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cc(C)nc3ccc(C)cc23)cc1
InChIInChI=1S/C22H24N2O3/c1-13-5-10-20-18(11-13)19(12-14(2)23-20)22(26)24-15(3)21(25)16-6-8-17(27-4)9-7-16/h5-12,15,21,25H,1-4H3,(H,24,26)/t15-,21+/m1/s1
InChIKeyWSQFQFYSZAEWCE-VFNWGFHPSA-N
MW364.45 g/mol
LogP3.71
Rot. Bonds5

About N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide

N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 97071690) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID97071690
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCOc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cc(C)nc3ccc(C)cc23)cc1
InChIInChI=1S/C22H24N2O3/c1-13-5-10-20-18(11-13)19(12-14(2)23-20)22(26)24-15(3)21(25)16-6-8-17(27-4)9-7-16/h5-12,15,21,25H,1-4H3,(H,24,26)/t15-,21+/m1/s1
InChIKeyWSQFQFYSZAEWCE-VFNWGFHPSA-N
XLogP3.71
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071689
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-methylquinoline-4-carboxamide
CID 71913323
N-[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-methylquinoline-4-carboxamide
CID 97068002
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide
CID 110028188
2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 36556980
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 56524273
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977
8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 133132370
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
CID 70742212

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide (CID 97071690) is N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide is COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cc(C)nc3ccc(C)cc23)cc1.
What is the InChIKey of N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is WSQFQFYSZAEWCE-VFNWGFHPSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-13-5-10-20-18(11-13)19(12-14(2)23-20)22(26)24-15(3)21(25)16-6-8-17(27-4)9-7-16/h5-12,15,21,25H,1-4H3,(H,24,26)/t15-,21+/m1/s1.
What are the key properties of N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide?
N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 97071690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).