1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea

C24H23F3N6O2 — CID 71483068

IUPAC1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea
SMILESCOc1nc2cc(F)c(F)cc2nc1NC(=O)NC1CCN(Cc2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C24H23F3N6O2/c1-35-23-22(30-20-9-17(26)18(27)10-21(20)31-23)32-24(34)29-15-4-6-33(7-5-15)12-13-11-28-19-8-14(25)2-3-16(13)19/h2-3,8-11,15,28H,4-7,12H2,1H3,(H2,29,30,32,34)
InChIKeyRQUBEZZMUWTAPH-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.32
Rot. Bonds5

About 1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea

1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea (PubChem CID 71483068) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea
PubChem CID71483068
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea
SMILESCOc1nc2cc(F)c(F)cc2nc1NC(=O)NC1CCN(Cc2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C24H23F3N6O2/c1-35-23-22(30-20-9-17(26)18(27)10-21(20)31-23)32-24(34)29-15-4-6-33(7-5-15)12-13-11-28-19-8-14(25)2-3-16(13)19/h2-3,8-11,15,28H,4-7,12H2,1H3,(H2,29,30,32,34)
InChIKeyRQUBEZZMUWTAPH-UHFFFAOYSA-N
XLogP4.32
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,7-dimethoxyquinoxalin-2-yl)-3-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]urea
CID 142700541
1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-3-(3,7-dimethoxyquinoxalin-2-yl)urea
CID 45111927
N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049315
2-(6-fluoro-1H-indol-3-yl)-N-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetamide
CID 127603569
1-(4-fluorophenyl)-3-[(3S)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 99838682
(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
CID 123860282
2-(6-fluoro-1H-indol-3-yl)-N-piperidin-4-ylacetamide
CID 138004293
2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide
CID 138003196
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methoxyphenyl)urea
CID 87008877
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801
methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 119041888

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea?
The IUPAC name of 1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea (CID 71483068) is 1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea is COc1nc2cc(F)c(F)cc2nc1NC(=O)NC1CCN(Cc2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea?
The InChIKey is RQUBEZZMUWTAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-35-23-22(30-20-9-17(26)18(27)10-21(20)31-23)32-24(34)29-15-4-6-33(7-5-15)12-13-11-28-19-8-14(25)2-3-16(13)19/h2-3,8-11,15,28H,4-7,12H2,1H3,(H2,29,30,32,34).
What are the key properties of 1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea?
1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea has a molecular weight of 484.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoro-3-methoxyquinoxalin-2-yl)-3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]urea is sourced from PubChem (CID 71483068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).