2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide

C26H29FN4O3 — CID 86281708

IUPAC2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide
SMILESCc1ccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c(F)c1
InChIInChI=1S/C26H29FN4O3/c1-17-2-7-21(22(27)14-17)26(32)30-18-3-5-20(6-4-18)34-24-16-19(31-10-12-33-13-11-31)15-23-25(24)29-9-8-28-23/h2,7-9,14-16,18,20H,3-6,10-13H2,1H3,(H,30,32)
InChIKeyWSGXXFJXFUXYFT-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.03
Rot. Bonds5

About 2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide

2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide (PubChem CID 86281708) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide
PubChem CID86281708
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide
SMILESCc1ccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c(F)c1
InChIInChI=1S/C26H29FN4O3/c1-17-2-7-21(22(27)14-17)26(32)30-18-3-5-20(6-4-18)34-24-16-19(31-10-12-33-13-11-31)15-23-25(24)29-9-8-28-23/h2,7-9,14-16,18,20H,3-6,10-13H2,1H3,(H,30,32)
InChIKeyWSGXXFJXFUXYFT-UHFFFAOYSA-N
XLogP4.03
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 16755780
4-{(E)-2-[({[2,4-Dimethyl-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
CID 10674242
4-{(E)-2-[({[2,4-Dimethyl-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N,N-dimethyl-benzamide
CID 11801083
7-Ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 24759666
4-(2,5-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44570645
4-(2,4-Difluoroanilino)-6-(4-methylpiperazin-1-yl)-7-propan-2-yloxyquinoline-3-carboxamide
CID 44570689
4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571271
4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571272
5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one
CID 90454092
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one
CID 45487363
4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methyl-3-oxopiperazin-1-yl)quinoline-3-carboxamide
CID 71812414
4-fluoro-N-[2-[2-(3-methoxyphenyl)ethynyl]-3-(1-methylpiperidin-4-yl)oxyquinoxalin-6-yl]benzamide
CID 52943804

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide (CID 86281708) is 2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide is Cc1ccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide?
The InChIKey is WSGXXFJXFUXYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-17-2-7-21(22(27)14-17)26(32)30-18-3-5-20(6-4-18)34-24-16-19(31-10-12-33-13-11-31)15-23-25(24)29-9-8-28-23/h2,7-9,14-16,18,20H,3-6,10-13H2,1H3,(H,30,32).
What are the key properties of 2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide?
2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide has a molecular weight of 464.54 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]benzamide is sourced from PubChem (CID 86281708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).