N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide

C20H27N3O2 — CID 70765038

IUPACN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C20H27N3O2/c1-12(2)23-10-18(19(11-23)25-5)22-20(24)16-9-14(4)21-17-7-6-13(3)8-15(16)17/h6-9,12,18-19H,10-11H2,1-5H3,(H,22,24)/t18-,19-/m0/s1
InChIKeyZKEBPTXDPGQCNA-OALUTQOASA-N
MW341.46 g/mol
LogP2.69
Rot. Bonds4

About N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 70765038) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID70765038
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C20H27N3O2/c1-12(2)23-10-18(19(11-23)25-5)22-20(24)16-9-14(4)21-17-7-6-13(3)8-15(16)17/h6-9,12,18-19H,10-11H2,1-5H3,(H,22,24)/t18-,19-/m0/s1
InChIKeyZKEBPTXDPGQCNA-OALUTQOASA-N
XLogP2.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 3184547
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 118784158
2,6-dimethyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]quinoline-4-carboxamide
CID 70721304
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 91841146
2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide
CID 118769446
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide
CID 118792832
N-[(1R,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071689
N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071690
1-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea
CID 72886030
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18193189

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide (CID 70765038) is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(C)nc2ccc(C)cc12.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is ZKEBPTXDPGQCNA-OALUTQOASA-N. The full InChI is InChI=1S/C20H27N3O2/c1-12(2)23-10-18(19(11-23)25-5)22-20(24)16-9-14(4)21-17-7-6-13(3)8-15(16)17/h6-9,12,18-19H,10-11H2,1-5H3,(H,22,24)/t18-,19-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide?
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 70765038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).