3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one

C26H24FN7O2 — CID 137394346

IUPAC3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one
SMILESCC(Nc1c(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)c(=O)[nH]c2ccccc12)c1ncccn1
InChIInChI=1S/C26H24FN7O2/c1-15(24-28-7-4-8-29-24)30-23-16-5-2-3-6-18(16)33-26(35)22(23)25-31-19-13-17(27)21(14-20(19)32-25)34-9-11-36-12-10-34/h2-8,13-15H,9-12H2,1H3,(H,31,32)(H2,30,33,35)
InChIKeyRLRMUQUWJSSZII-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.01
Rot. Bonds5

About 3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one

3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one (PubChem CID 137394346) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one
PubChem CID137394346
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one
SMILESCC(Nc1c(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)c(=O)[nH]c2ccccc12)c1ncccn1
InChIInChI=1S/C26H24FN7O2/c1-15(24-28-7-4-8-29-24)30-23-16-5-2-3-6-18(16)33-26(35)22(23)25-31-19-13-17(27)21(14-20(19)32-25)34-9-11-36-12-10-34/h2-8,13-15H,9-12H2,1H3,(H,31,32)(H2,30,33,35)
InChIKeyRLRMUQUWJSSZII-UHFFFAOYSA-N
XLogP4.01
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one with MolForge

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Related Compounds

3-(4-methyl-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyrimidin-2-ylethyl]amino]-1H-quinolin-2-one
CID 137394434
3-[6-[(2R)-2-methylmorpholin-4-yl]-1H-benzimidazol-2-yl]-4-[[(1S)-1-pyrimidin-2-ylethyl]amino]-1H-quinolin-2-one
CID 137394563
3-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1H-benzimidazol-2-yl]-4-[[(1S)-1-pyrimidin-2-ylethyl]amino]-1H-quinolin-2-one
CID 137394565
3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrazin-2-ylethylamino)-1H-quinolin-2-one
CID 137393959
3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one
CID 137394588
6-(4-fluoro-6-morpholin-4-yl-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;sulfane
CID 162036010
4-[2-[2-oxo-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1H-quinolin-3-yl]-3H-benzimidazol-5-yl]morpholine-2-carboxylic acid
CID 137393967
2-methyl-6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;sulfane
CID 158276987
5-amino-3-(4,7-difluoro-6-morpholin-4-yl-1H-benzimidazol-2-yl)-6-(methyliminomethyl)-4-(1-pyrimidin-2-ylethylamino)-1H-pyridin-2-one
CID 138663092
2-ethyl-6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;sulfane
CID 160769082
6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 154966445
4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine
CID 174464899

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one?
The IUPAC name of 3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one (CID 137394346) is 3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one.
What is the SMILES notation for 3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one?
The canonical SMILES for 3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one is CC(Nc1c(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)c(=O)[nH]c2ccccc12)c1ncccn1.
What is the InChIKey of 3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one?
The InChIKey is RLRMUQUWJSSZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-15(24-28-7-4-8-29-24)30-23-16-5-2-3-6-18(16)33-26(35)22(23)25-31-19-13-17(27)21(14-20(19)32-25)34-9-11-36-12-10-34/h2-8,13-15H,9-12H2,1H3,(H,31,32)(H2,30,33,35).
What are the key properties of 3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one?
3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one has a molecular weight of 485.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one is sourced from PubChem (CID 137394346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).