8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one

C24H19N5O3S — CID 70895729

IUPAC8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(S(=O)(=O)c2cc3cnc(Nc4ccc5ncccc5c4)nc3n(C)c2=O)cc1
InChIInChI=1S/C24H19N5O3S/c1-15-5-8-19(9-6-15)33(31,32)21-13-17-14-26-24(28-22(17)29(2)23(21)30)27-18-7-10-20-16(12-18)4-3-11-25-20/h3-14H,1-2H3,(H,26,27,28)
InChIKeyFRDWBACKDPUPOH-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.76
Rot. Bonds4

About 8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one

8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70895729) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is 8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70895729
Molecular FormulaC24H19N5O3S
Molecular Weight457.52 g/mol
Exact Mass457.12
IUPAC Name8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(S(=O)(=O)c2cc3cnc(Nc4ccc5ncccc5c4)nc3n(C)c2=O)cc1
InChIInChI=1S/C24H19N5O3S/c1-15-5-8-19(9-6-15)33(31,32)21-13-17-14-26-24(28-22(17)29(2)23(21)30)27-18-7-10-20-16(12-18)4-3-11-25-20/h3-14H,1-2H3,(H,26,27,28)
InChIKeyFRDWBACKDPUPOH-UHFFFAOYSA-N
XLogP3.76
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 70895729) is 8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cc1ccc(S(=O)(=O)c2cc3cnc(Nc4ccc5ncccc5c4)nc3n(C)c2=O)cc1.
What is the InChIKey of 8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FRDWBACKDPUPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c1-15-5-8-19(9-6-15)33(31,32)21-13-17-14-26-24(28-22(17)29(2)23(21)30)27-18-7-10-20-16(12-18)4-3-11-25-20/h3-14H,1-2H3,(H,26,27,28).
What are the key properties of 8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one?
8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 457.52 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(4-methylphenyl)sulfonyl-2-(quinolin-6-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70895729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).