4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole

C25H26N4S — CID 11633028

IUPAC4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C25H26N4S/c1-17-5-4-13-29(17)14-11-19-7-9-22-20(15-19)8-10-23(28-22)24-18(2)27-25(30-24)21-6-3-12-26-16-21/h3,6-10,12,15-17H,4-5,11,13-14H2,1-2H3/t17-/m1/s1
InChIKeySQRYZHXHZZAKRK-QGZVFWFLSA-N
MW414.58 g/mol
LogP5.76
Rot. Bonds5

About 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole

4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole (PubChem CID 11633028) has the molecular formula C25H26N4S and a molecular weight of 414.58 g/mol. Its IUPAC name is 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole
PubChem CID11633028
Molecular FormulaC25H26N4S
Molecular Weight414.58 g/mol
Exact Mass414.19
IUPAC Name4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C25H26N4S/c1-17-5-4-13-29(17)14-11-19-7-9-22-20(15-19)8-10-23(28-22)24-18(2)27-25(30-24)21-6-3-12-26-16-21/h3,6-10,12,15-17H,4-5,11,13-14H2,1-2H3/t17-/m1/s1
InChIKeySQRYZHXHZZAKRK-QGZVFWFLSA-N
XLogP5.76
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.58
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole (CID 11633028) is 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1.
What is the InChIKey of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is SQRYZHXHZZAKRK-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26N4S/c1-17-5-4-13-29(17)14-11-19-7-9-22-20(15-19)8-10-23(28-22)24-18(2)27-25(30-24)21-6-3-12-26-16-21/h3,6-10,12,15-17H,4-5,11,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole?
4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 414.58 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 11633028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).