N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide

C21H22N2O2 — CID 96567455

IUPACN-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide
SMILESCOc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C21H22N2O2/c1-15(14-17-8-4-5-12-19(17)25-3)23(2)21(24)18-11-6-9-16-10-7-13-22-20(16)18/h4-13,15H,14H2,1-3H3/t15-/m1/s1
InChIKeySBAFZIGTVZKEKB-OAHLLOKOSA-N
MW334.42 g/mol
LogP3.95
Rot. Bonds5

About N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide

N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide (PubChem CID 96567455) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide
PubChem CID96567455
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide
SMILESCOc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C21H22N2O2/c1-15(14-17-8-4-5-12-19(17)25-3)23(2)21(24)18-11-6-9-16-10-7-13-22-20(16)18/h4-13,15H,14H2,1-3H3/t15-/m1/s1
InChIKeySBAFZIGTVZKEKB-OAHLLOKOSA-N
XLogP3.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 96567463
N-[1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 71994211
2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid
CID 95127217
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide
CID 99939494
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid
CID 146143174
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide
CID 86882760
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide?
The IUPAC name of N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide (CID 96567455) is N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide.
What is the SMILES notation for N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide?
The canonical SMILES for N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide is COc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide?
The InChIKey is SBAFZIGTVZKEKB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15(14-17-8-4-5-12-19(17)25-3)23(2)21(24)18-11-6-9-16-10-7-13-22-20(16)18/h4-13,15H,14H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide?
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 96567455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).