6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine

C23H21FN6O3S — CID 163290867

IUPAC6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine
SMILESCc1c(-c2cc3nc(Nc4ccc(CS(C)(=O)=O)nc4)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C23H21FN6O3S/c1-13-18(11-27-22-21(13)25-5-6-33-22)17-8-20-14(7-19(17)24)9-28-23(30-20)29-15-3-4-16(26-10-15)12-34(2,31)32/h3-4,7-11,25H,5-6,12H2,1-2H3,(H,28,29,30)
InChIKeyKUTAAMIRNGUKLR-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.63
Rot. Bonds5

About 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine

6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine (PubChem CID 163290867) has the molecular formula C23H21FN6O3S and a molecular weight of 480.53 g/mol. Its IUPAC name is 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine
PubChem CID163290867
Molecular FormulaC23H21FN6O3S
Molecular Weight480.53 g/mol
Exact Mass480.14
IUPAC Name6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine
SMILESCc1c(-c2cc3nc(Nc4ccc(CS(C)(=O)=O)nc4)ncc3cc2F)cnc2c1NCCO2
InChIInChI=1S/C23H21FN6O3S/c1-13-18(11-27-22-21(13)25-5-6-33-22)17-8-20-14(7-19(17)24)9-28-23(30-20)29-15-3-4-16(26-10-15)12-34(2,31)32/h3-4,7-11,25H,5-6,12H2,1-2H3,(H,28,29,30)
InChIKeyKUTAAMIRNGUKLR-UHFFFAOYSA-N
XLogP3.63
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Linperlisib
CID 91754520
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]quinazolin-2-amine
CID 163290870
2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164514640
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178110
N-[5-(2-amino-4-pyridin-4-ylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 122178113
N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155528302
N-[2-methoxy-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]methanesulfonamide
CID 57545852
2,4-difluoro-N-[2-methoxy-5-[4-(4-morpholinyl)-6-quinazolinyl]-3-pyridinyl]Benzenesulfonamide
CID 57545876
N-[5-(2-Amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 76321298
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118321320
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
CID 118321324
2,4-difluoro-N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 145967651

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine?
The IUPAC name of 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine (CID 163290867) is 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine.
What is the SMILES notation for 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine?
The canonical SMILES for 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine is Cc1c(-c2cc3nc(Nc4ccc(CS(C)(=O)=O)nc4)ncc3cc2F)cnc2c1NCCO2.
What is the InChIKey of 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine?
The InChIKey is KUTAAMIRNGUKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3S/c1-13-18(11-27-22-21(13)25-5-6-33-22)17-8-20-14(7-19(17)24)9-28-23(30-20)29-15-3-4-16(26-10-15)12-34(2,31)32/h3-4,7-11,25H,5-6,12H2,1-2H3,(H,28,29,30).
What are the key properties of 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine?
6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine has a molecular weight of 480.53 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]quinazolin-2-amine is sourced from PubChem (CID 163290867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).