N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide

C23H21N5O2S — CID 112761975

IUPACN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H21N5O2S/c29-22(27-23-25-17(15-31-23)14-28-8-10-30-11-9-28)19-12-21(16-4-3-7-24-13-16)26-20-6-2-1-5-18(19)20/h1-7,12-13,15H,8-11,14H2,(H,25,27,29)
InChIKeyOYIKWCUAORLOEV-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.84
Rot. Bonds5

About N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 112761975) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID112761975
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H21N5O2S/c29-22(27-23-25-17(15-31-23)14-28-8-10-30-11-9-28)19-12-21(16-4-3-7-24-13-16)26-20-6-2-1-5-18(19)20/h1-7,12-13,15H,8-11,14H2,(H,25,27,29)
InChIKeyOYIKWCUAORLOEV-UHFFFAOYSA-N
XLogP3.84
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 36847091
2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 29369713
2-hydroxy-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 46525048
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-morpholin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2374192
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 78776017
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 17472342

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 112761975) is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is OYIKWCUAORLOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c29-22(27-23-25-17(15-31-23)14-28-8-10-30-11-9-28)19-12-21(16-4-3-7-24-13-16)26-20-6-2-1-5-18(19)20/h1-7,12-13,15H,8-11,14H2,(H,25,27,29).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 112761975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).