(4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate

C22H17N3O2S — CID 146086718

IUPAC(4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
SMILESO=C(OCc1nc(C2CC2)cs1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H17N3O2S/c26-22(27-12-21-25-20(13-28-21)14-5-6-14)17-11-19(15-7-9-23-10-8-15)24-18-4-2-1-3-16(17)18/h1-4,7-11,13-14H,5-6,12H2
InChIKeyGHALQDKERUZXCS-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.99
Rot. Bonds5

About (4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate

(4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate (PubChem CID 146086718) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is (4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
PubChem CID146086718
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name(4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
SMILESO=C(OCc1nc(C2CC2)cs1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H17N3O2S/c26-22(27-12-21-25-20(13-28-21)14-5-6-14)17-11-19(15-7-9-23-10-8-15)24-18-4-2-1-3-16(17)18/h1-4,7-11,13-14H,5-6,12H2
InChIKeyGHALQDKERUZXCS-UHFFFAOYSA-N
XLogP4.99
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23990884
(4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 2404179
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 154799956
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3907572
(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 167924136
[2-(4-bromophenyl)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23882892
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72882893
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23856693
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 2463363
naphthalen-1-ylmethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3964201
naphthalen-1-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3939151

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate?
The IUPAC name of (4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate (CID 146086718) is (4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate.
What is the SMILES notation for (4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate?
The canonical SMILES for (4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate is O=C(OCc1nc(C2CC2)cs1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of (4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate?
The InChIKey is GHALQDKERUZXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-22(27-12-21-25-20(13-28-21)14-5-6-14)17-11-19(15-7-9-23-10-8-15)24-18-4-2-1-3-16(17)18/h1-4,7-11,13-14H,5-6,12H2.
What are the key properties of (4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate?
(4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate has a molecular weight of 387.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate is sourced from PubChem (CID 146086718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).