8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one

C23H22FN7O — CID 175951266

IUPAC8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one
SMILESCc1nc2ccc(CN3CC=C(c4ccc(-c5cn(C)nn5)nc4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C23H22FN7O/c1-14-23(32)27-22-19(26-14)6-4-17(21(22)24)12-31-9-7-15(8-10-31)16-3-5-18(25-11-16)20-13-30(2)29-28-20/h3-7,11,13H,8-10,12H2,1-2H3,(H,27,32)
InChIKeyBIGMBQGZTSCMSZ-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.85
Rot. Bonds4

About 8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one

8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one (PubChem CID 175951266) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one
PubChem CID175951266
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one
SMILESCc1nc2ccc(CN3CC=C(c4ccc(-c5cn(C)nn5)nc4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C23H22FN7O/c1-14-23(32)27-22-19(26-14)6-4-17(21(22)24)12-31-9-7-15(8-10-31)16-3-5-18(25-11-16)20-13-30(2)29-28-20/h3-7,11,13H,8-10,12H2,1-2H3,(H,27,32)
InChIKeyBIGMBQGZTSCMSZ-UHFFFAOYSA-N
XLogP2.85
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one?
The IUPAC name of 8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one (CID 175951266) is 8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one is Cc1nc2ccc(CN3CC=C(c4ccc(-c5cn(C)nn5)nc4)CC3)c(F)c2[nH]c1=O.
What is the InChIKey of 8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one?
The InChIKey is BIGMBQGZTSCMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-14-23(32)27-22-19(26-14)6-4-17(21(22)24)12-31-9-7-15(8-10-31)16-3-5-18(25-11-16)20-13-30(2)29-28-20/h3-7,11,13H,8-10,12H2,1-2H3,(H,27,32).
What are the key properties of 8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one?
8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one has a molecular weight of 431.48 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 175951266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).