N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide

C21H17BrN2O3S — CID 15999971

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)NCc4cc(Br)ccc4OC)cc3cc2c1
InChIInChI=1S/C21H17BrN2O3S/c1-26-16-4-5-17-12(9-16)7-13-10-19(28-21(13)24-17)20(25)23-11-14-8-15(22)3-6-18(14)27-2/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyPZVYAASEOKZGAF-UHFFFAOYSA-N
MW457.35 g/mol
LogP5.16
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 15999971) has the molecular formula C21H17BrN2O3S and a molecular weight of 457.35 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID15999971
Molecular FormulaC21H17BrN2O3S
Molecular Weight457.35 g/mol
Exact Mass456.01
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3sc(C(=O)NCc4cc(Br)ccc4OC)cc3cc2c1
InChIInChI=1S/C21H17BrN2O3S/c1-26-16-4-5-17-12(9-16)7-13-10-19(28-21(13)24-17)20(25)23-11-14-8-15(22)3-6-18(14)27-2/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyPZVYAASEOKZGAF-UHFFFAOYSA-N
XLogP5.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.35
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 22434613
6-methoxy-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 15995302
5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954388
6-methoxy-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 5189392
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61113758
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 92656948
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291486
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 49172868
N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
CID 15990436

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 15999971) is N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide is COc1ccc2nc3sc(C(=O)NCc4cc(Br)ccc4OC)cc3cc2c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is PZVYAASEOKZGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3S/c1-26-16-4-5-17-12(9-16)7-13-10-19(28-21(13)24-17)20(25)23-11-14-8-15(22)3-6-18(14)27-2/h3-10H,11H2,1-2H3,(H,23,25).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 457.35 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 15999971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).