6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C24H24N6O3S — CID 140936223

IUPAC6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCC(=O)N3)nc2cc[nH]c12
InChIInChI=1S/C24H24N6O3S/c1-14(2)34(32,33)20-6-4-3-5-18(20)28-23-22-19(11-12-25-22)29-24(30-23)26-16-8-9-17-15(13-16)7-10-21(31)27-17/h3-6,8-9,11-14,25H,7,10H2,1-2H3,(H,27,31)(H2,26,28,29,30)
InChIKeyBBZMCCGRKHUOFA-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.51
Rot. Bonds6

About 6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 140936223) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID140936223
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCC(=O)N3)nc2cc[nH]c12
InChIInChI=1S/C24H24N6O3S/c1-14(2)34(32,33)20-6-4-3-5-18(20)28-23-22-19(11-12-25-22)29-24(30-23)26-16-8-9-17-15(13-16)7-10-21(31)27-17/h3-6,8-9,11-14,25H,7,10H2,1-2H3,(H,27,31)(H2,26,28,29,30)
InChIKeyBBZMCCGRKHUOFA-UHFFFAOYSA-N
XLogP4.51
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

2-morpholin-4-yl-N-[3-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide
CID 140936181
4-[[4-(2-methylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 140936146
1-(4-methylpiperazin-1-yl)-3-[3-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]propan-2-one
CID 161060822
1-[4-[[4-[(2-propan-2-ylsulfonylphenyl)methylamino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
CID 140936149
4-[[5-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 67046818
6-(2-nitroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 170034457
2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 121320413
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-[3-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]propan-2-one
CID 158155042
6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 170647953
2-N-(4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 134256328
6-[[2-(1,3-benzodioxol-5-ylamino)-5-methylpyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one;6-[[4-(1,3-benzodioxol-5-ylamino)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;2-N,4-N-bis(1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 160708060
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 140936223) is 6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCC(=O)N3)nc2cc[nH]c12.
What is the InChIKey of 6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BBZMCCGRKHUOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-14(2)34(32,33)20-6-4-3-5-18(20)28-23-22-19(11-12-25-22)29-24(30-23)26-16-8-9-17-15(13-16)7-10-21(31)27-17/h3-6,8-9,11-14,25H,7,10H2,1-2H3,(H,27,31)(H2,26,28,29,30).
What are the key properties of 6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 476.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-propan-2-ylsulfonylanilino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 140936223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).