N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C22H25N3O4 — CID 120506277

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N[C@@H](C)CN)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O4/c1-13(12-23)24-22(26)16-11-18(25-17-8-6-5-7-15(16)17)14-9-19(27-2)21(29-4)20(10-14)28-3/h5-11,13H,12,23H2,1-4H3,(H,24,26)/t13-/m0/s1
InChIKeyOMIXCJHYWPRXFL-ZDUSSCGKSA-N
MW395.46 g/mol
LogP3.00
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 120506277) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID120506277
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N[C@@H](C)CN)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O4/c1-13(12-23)24-22(26)16-11-18(25-17-8-6-5-7-15(16)17)14-9-19(27-2)21(29-4)20(10-14)28-3/h5-11,13H,12,23H2,1-4H3,(H,24,26)/t13-/m0/s1
InChIKeyOMIXCJHYWPRXFL-ZDUSSCGKSA-N
XLogP3.00
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 55964066
N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 35139214
N-[1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098159
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 92821447
2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 32773013
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307
methyl 3-(1H-indol-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]propanoate
CID 91615584
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 98399051
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754
tert-butyl N-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]carbamate
CID 102304584
(2R)-3-(1H-indol-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]propanoic acid
CID 69110704

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 120506277) is N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)N[C@@H](C)CN)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is OMIXCJHYWPRXFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-13(12-23)24-22(26)16-11-18(25-17-8-6-5-7-15(16)17)14-9-19(27-2)21(29-4)20(10-14)28-3/h5-11,13H,12,23H2,1-4H3,(H,24,26)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 120506277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).