N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide

C23H16N4OS — CID 7087648

IUPACN-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide
SMILESCc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C23H16N4OS/c1-14-13-16(22-27-20-7-4-12-24-23(20)29-22)9-10-17(14)26-21(28)19-11-8-15-5-2-3-6-18(15)25-19/h2-13H,1H3,(H,26,28)
InChIKeyQLJGEQFAPLODAP-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.47
Rot. Bonds3

About N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide

N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide (PubChem CID 7087648) has the molecular formula C23H16N4OS and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide
PubChem CID7087648
Molecular FormulaC23H16N4OS
Molecular Weight396.48 g/mol
Exact Mass396.10
IUPAC NameN-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide
SMILESCc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C23H16N4OS/c1-14-13-16(22-27-20-7-4-12-24-23(20)29-22)9-10-17(14)26-21(28)19-11-8-15-5-2-3-6-18(15)25-19/h2-13H,1H3,(H,26,28)
InChIKeyQLJGEQFAPLODAP-UHFFFAOYSA-N
XLogP5.47
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrrolidin-1-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
CID 57394197
N,N-diethyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57395962
N-ethyl-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57397762
Azetidin-1-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
CID 57399428
N,N-dimethyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57399429
4-sulfamoyl-N-(4-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzamide
CID 16195647
3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1086314
2-(1H-indol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095485
2-(Isoquinolin-5-yl)-n-(4-(pyrazin-2-yl)thiazol-5-yl)acetamide
CID 52948593
N-[[(2S,3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70681619
N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70683740
N-[[(2S)-4,4-difluoro-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70683743

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide (CID 7087648) is N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide is Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide?
The InChIKey is QLJGEQFAPLODAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4OS/c1-14-13-16(22-27-20-7-4-12-24-23(20)29-22)9-10-17(14)26-21(28)19-11-8-15-5-2-3-6-18(15)25-19/h2-13H,1H3,(H,26,28).
What are the key properties of N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide?
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 7087648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).