N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

C31H28N4O3S — CID 16547130

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c3ccccc3n2)cc1OC
InChIInChI=1S/C31H28N4O3S/c1-37-27-13-12-21(16-28(27)38-2)26-17-23(22-10-6-7-11-24(22)32-26)30(36)34-31-33-25-14-15-35(19-29(25)39-31)18-20-8-4-3-5-9-20/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,33,34,36)
InChIKeyFHNYYVYTWCLLJM-UHFFFAOYSA-N
MW536.66 g/mol
LogP6.19
Rot. Bonds7

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 16547130) has the molecular formula C31H28N4O3S and a molecular weight of 536.66 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID16547130
Molecular FormulaC31H28N4O3S
Molecular Weight536.66 g/mol
Exact Mass536.19
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c3ccccc3n2)cc1OC
InChIInChI=1S/C31H28N4O3S/c1-37-27-13-12-21(16-28(27)38-2)26-17-23(22-10-6-7-11-24(22)32-26)30(36)34-31-33-25-14-15-35(19-29(25)39-31)18-20-8-4-3-5-9-20/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,33,34,36)
InChIKeyFHNYYVYTWCLLJM-UHFFFAOYSA-N
XLogP6.19
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.66
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide
CID 2382313
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxy-4-prop-2-enoxybenzamide
CID 24599368
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 42152830
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 55908058
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide
CID 16547111
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-methoxyquinoline-2-carboxamide
CID 35799271
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4-dimethylbenzamide
CID 42153991
2-(3,4-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 16551290
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide
CID 16547092
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 4207709
N-[5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528602

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 16547130) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c3ccccc3n2)cc1OC.
What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is FHNYYVYTWCLLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O3S/c1-37-27-13-12-21(16-28(27)38-2)26-17-23(22-10-6-7-11-24(22)32-26)30(36)34-31-33-25-14-15-35(19-29(25)39-31)18-20-8-4-3-5-9-20/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,33,34,36).
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 536.66 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 16547130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).