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

C25H24FN5O3S — CID 163290799

IUPACN-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
SMILESCCS(=O)(=O)Cc1ccc(Nc2ncc3cc(F)c(-c4cnc5c(c4C)NCCO5)cc3n2)cc1
InChIInChI=1S/C25H24FN5O3S/c1-3-35(32,33)14-16-4-6-18(7-5-16)30-25-29-12-17-10-21(26)19(11-22(17)31-25)20-13-28-24-23(15(20)2)27-8-9-34-24/h4-7,10-13,27H,3,8-9,14H2,1-2H3,(H,29,30,31)
InChIKeyCLUKXSRBXRHIDO-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.62
Rot. Bonds6

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

N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine (PubChem CID 163290799) has the molecular formula C25H24FN5O3S and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
PubChem CID163290799
Molecular FormulaC25H24FN5O3S
Molecular Weight493.56 g/mol
Exact Mass493.16
IUPAC NameN-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
SMILESCCS(=O)(=O)Cc1ccc(Nc2ncc3cc(F)c(-c4cnc5c(c4C)NCCO5)cc3n2)cc1
InChIInChI=1S/C25H24FN5O3S/c1-3-35(32,33)14-16-4-6-18(7-5-16)30-25-29-12-17-10-21(26)19(11-22(17)31-25)20-13-28-24-23(15(20)2)27-8-9-34-24/h4-7,10-13,27H,3,8-9,14H2,1-2H3,(H,29,30,31)
InChIKeyCLUKXSRBXRHIDO-UHFFFAOYSA-N
XLogP4.62
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[(1S)-1-methylsulfonylethyl]phenyl]quinazolin-2-amine
CID 164514611
(2S)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide
CID 164514607
6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-[4-(propan-2-ylsulfonylmethyl)phenyl]quinazoline-2,5-diamine
CID 164514710
5-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-2-(2-hydroxy-2-methylpropyl)-3H-isoindol-1-one
CID 163290850
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine
CID 177197629
7-(8-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6-fluoro-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,5-diamine
CID 163290853
6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-[4-[(1S)-1-methylsulfonylethyl]phenyl]quinazoline-2,5-diamine
CID 164514652
2-N-[4-(ethylsulfonylmethyl)-2-fluorophenyl]-6-fluoro-7-(3,3,8-trimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164514700
methyl 2-[3-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-4-methoxyphenyl]acetate
CID 163290708
1-[[4-[4-[2-[4-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]phenyl]methyl]-1,3-diazinane-2,4-dione
CID 177197565
cyclopropylmethyl-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamic acid
CID 166791879
N-[(1S)-5-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 164514622

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The IUPAC name of N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine (CID 163290799) is N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine.
What is the SMILES notation for N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The canonical SMILES for N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine is CCS(=O)(=O)Cc1ccc(Nc2ncc3cc(F)c(-c4cnc5c(c4C)NCCO5)cc3n2)cc1.
What is the InChIKey of N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The InChIKey is CLUKXSRBXRHIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3S/c1-3-35(32,33)14-16-4-6-18(7-5-16)30-25-29-12-17-10-21(26)19(11-22(17)31-25)20-13-28-24-23(15(20)2)27-8-9-34-24/h4-7,10-13,27H,3,8-9,14H2,1-2H3,(H,29,30,31).
What are the key properties of N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine?
N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine has a molecular weight of 493.56 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).