N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine

C23H22N4O3S — CID 122690580

IUPACN-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine
SMILESCC(C)Oc1cccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1
InChIInChI=1S/C23H22N4O3S/c1-15(2)30-18-6-4-5-16(11-18)19-12-17(13-20-23(19)26-10-9-25-20)27-21-14-24-8-7-22(21)31(3,28)29/h4-15,27H,1-3H3
InChIKeyWQKPNYRBRZIMIZ-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.63
Rot. Bonds6

About N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine

N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine (PubChem CID 122690580) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine
PubChem CID122690580
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine
SMILESCC(C)Oc1cccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1
InChIInChI=1S/C23H22N4O3S/c1-15(2)30-18-6-4-5-16(11-18)19-12-17(13-20-23(19)26-10-9-25-20)27-21-14-24-8-7-22(21)31(3,28)29/h4-15,27H,1-3H3
InChIKeyWQKPNYRBRZIMIZ-UHFFFAOYSA-N
XLogP4.63
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine
CID 164620647
3-(Benzenesulfonyl)-6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline
CID 12006129
8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
CID 122690650
3-(benzenesulfonyl)-6-ethoxy-N-(4-ethoxyphenyl)quinolin-4-amine
CID 6625068
3-(Benzenesulfonyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-ethoxyquinoline
CID 18559469
2-[3-(3-Methylsulfonylphenoxy)phenyl]-5-(trifluoromethyl)quinoxaline
CID 46202132
2-{3-[3-(Ethylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoxaline
CID 46202459
2-[3-(3-Methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline
CID 59321612
3-N-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-5-N-ethyl-2-(6-methoxy-3-pyridinyl)-5-N-methylpyridine-3,5-diamine
CID 90893609
N-(4-methylsulfonylpyridin-3-yl)-8-[3-(trifluoromethoxy)phenyl]quinoxalin-6-amine
CID 122690854
2-[7-[2-[3-(Dimethylamino)pyrrolidin-1-yl]-4-fluoroanilino]quinoxalin-6-yl]-4-methoxybenzenesulfonamide
CID 178803346
3-(Benzenesulfonyl)-6-ethoxy-4-piperidin-1-ylquinoline
CID 5640088

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine?
The IUPAC name of N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine (CID 122690580) is N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine.
What is the SMILES notation for N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine?
The canonical SMILES for N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine is CC(C)Oc1cccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1.
What is the InChIKey of N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine?
The InChIKey is WQKPNYRBRZIMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15(2)30-18-6-4-5-16(11-18)19-12-17(13-20-23(19)26-10-9-25-20)27-21-14-24-8-7-22(21)31(3,28)29/h4-15,27H,1-3H3.
What are the key properties of N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine?
N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine has a molecular weight of 434.52 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 N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine is sourced from PubChem (CID 122690580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).