N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide

C18H23N3O2 — CID 128981996

IUPACN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3ccccc3n2)N(C)C1
InChIInChI=1S/C18H23N3O2/c1-20-12-15(23-3)10-14(20)11-21(2)18(22)17-9-8-13-6-4-5-7-16(13)19-17/h4-9,14-15H,10-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyYGYCOCBXAUFZSC-GJZGRUSLSA-N
MW313.40 g/mol
LogP2.03
Rot. Bonds4

About N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide (PubChem CID 128981996) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide
PubChem CID128981996
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3ccccc3n2)N(C)C1
InChIInChI=1S/C18H23N3O2/c1-20-12-15(23-3)10-14(20)11-21(2)18(22)17-9-8-13-6-4-5-7-16(13)19-17/h4-9,14-15H,10-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyYGYCOCBXAUFZSC-GJZGRUSLSA-N
XLogP2.03
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide (CID 128981996) is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide is CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3ccccc3n2)N(C)C1.
What is the InChIKey of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide?
The InChIKey is YGYCOCBXAUFZSC-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-12-15(23-3)10-14(20)11-21(2)18(22)17-9-8-13-6-4-5-7-16(13)19-17/h4-9,14-15H,10-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide?
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 128981996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).