1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one

C25H27N5O3S2 — CID 176658421

IUPAC1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one
SMILESCc1nc(Nc2cccc(N3CCCC3=O)n2)sc1-c1ccc2c(c1)CCCN2S(=O)(=O)C1CC1
InChIInChI=1S/C25H27N5O3S2/c1-16-24(18-9-12-20-17(15-18)5-3-14-30(20)35(32,33)19-10-11-19)34-25(26-16)28-21-6-2-7-22(27-21)29-13-4-8-23(29)31/h2,6-7,9,12,15,19H,3-5,8,10-11,13-14H2,1H3,(H,26,27,28)
InChIKeyUYHAJNHLBAVBLJ-UHFFFAOYSA-N
MW509.66 g/mol
LogP4.63
Rot. Bonds6

About 1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one

1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one (PubChem CID 176658421) has the molecular formula C25H27N5O3S2 and a molecular weight of 509.66 g/mol. Its IUPAC name is 1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one
PubChem CID176658421
Molecular FormulaC25H27N5O3S2
Molecular Weight509.66 g/mol
Exact Mass509.16
IUPAC Name1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one
SMILESCc1nc(Nc2cccc(N3CCCC3=O)n2)sc1-c1ccc2c(c1)CCCN2S(=O)(=O)C1CC1
InChIInChI=1S/C25H27N5O3S2/c1-16-24(18-9-12-20-17(15-18)5-3-14-30(20)35(32,33)19-10-11-19)34-25(26-16)28-21-6-2-7-22(27-21)29-13-4-8-23(29)31/h2,6-7,9,12,15,19H,3-5,8,10-11,13-14H2,1H3,(H,26,27,28)
InChIKeyUYHAJNHLBAVBLJ-UHFFFAOYSA-N
XLogP4.63
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.66
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one (CID 176658421) is 1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one is Cc1nc(Nc2cccc(N3CCCC3=O)n2)sc1-c1ccc2c(c1)CCCN2S(=O)(=O)C1CC1.
What is the InChIKey of 1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is UYHAJNHLBAVBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S2/c1-16-24(18-9-12-20-17(15-18)5-3-14-30(20)35(32,33)19-10-11-19)34-25(26-16)28-21-6-2-7-22(27-21)29-13-4-8-23(29)31/h2,6-7,9,12,15,19H,3-5,8,10-11,13-14H2,1H3,(H,26,27,28).
What are the key properties of 1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one?
1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 509.66 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 176658421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).