N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C25H26N4O4 — CID 55964066

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC(C)Cn3ccnc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H26N4O4/c1-16(14-29-10-9-26-15-29)27-25(30)19-13-21(28-20-8-6-5-7-18(19)20)17-11-22(31-2)24(33-4)23(12-17)32-3/h5-13,15-16H,14H2,1-4H3,(H,27,30)
InChIKeyAHTKRCRVCYONDB-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.94
Rot. Bonds8

About N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 55964066) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID55964066
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC(C)Cn3ccnc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C25H26N4O4/c1-16(14-29-10-9-26-15-29)27-25(30)19-13-21(28-20-8-6-5-7-18(19)20)17-11-22(31-2)24(33-4)23(12-17)32-3/h5-13,15-16H,14H2,1-4H3,(H,27,30)
InChIKeyAHTKRCRVCYONDB-UHFFFAOYSA-N
XLogP3.94
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 120506277
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
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-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide
CID 56911423
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 94173055
N-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 31012307
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 98399051
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754
2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 32773013

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 55964066) is N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)NC(C)Cn3ccnc3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is AHTKRCRVCYONDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-16(14-29-10-9-26-15-29)27-25(30)19-13-21(28-20-8-6-5-7-18(19)20)17-11-22(31-2)24(33-4)23(12-17)32-3/h5-13,15-16H,14H2,1-4H3,(H,27,30).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 55964066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).