N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide

C17H23N3O2 — CID 120653655

IUPACN-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C17H23N3O2/c1-5-18-11(2)10-19-17(21)15-8-13-6-7-14(22-4)9-16(13)20-12(15)3/h6-9,11,18H,5,10H2,1-4H3,(H,19,21)/t11-/m1/s1
InChIKeyWMRBXCLFRNLNRW-LLVKDONJSA-N
MW301.39 g/mol
LogP2.28
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide

N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 120653655) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID120653655
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C17H23N3O2/c1-5-18-11(2)10-19-17(21)15-8-13-6-7-14(22-4)9-16(13)20-12(15)3/h6-9,11,18H,5,10H2,1-4H3,(H,19,21)/t11-/m1/s1
InChIKeyWMRBXCLFRNLNRW-LLVKDONJSA-N
XLogP2.28
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
(2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694929
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 33323552
N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17492677
(E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid
CID 120693173

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide (CID 120653655) is N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide is CCN[C@H](C)CNC(=O)c1cc2ccc(OC)cc2nc1C.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is WMRBXCLFRNLNRW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-18-11(2)10-19-17(21)15-8-13-6-7-14(22-4)9-16(13)20-12(15)3/h6-9,11,18H,5,10H2,1-4H3,(H,19,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 120653655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).