3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one

C25H24N6O2S — CID 137394588

IUPAC3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one
SMILESC[C@@H](Nc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2ccccc12)c1cscn1
InChIInChI=1S/C25H24N6O2S/c1-15(21-13-34-14-26-21)27-23-17-4-2-3-5-18(17)30-25(32)22(23)24-28-19-7-6-16(12-20(19)29-24)31-8-10-33-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,28,29)(H2,27,30,32)/t15-/m1/s1
InChIKeyZJZXYEAECIHOLY-OAHLLOKOSA-N
MW472.57 g/mol
LogP4.54
Rot. Bonds5

About 3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one

3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one (PubChem CID 137394588) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one
PubChem CID137394588
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC Name3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one
SMILESC[C@@H](Nc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2ccccc12)c1cscn1
InChIInChI=1S/C25H24N6O2S/c1-15(21-13-34-14-26-21)27-23-17-4-2-3-5-18(17)30-25(32)22(23)24-28-19-7-6-16(12-20(19)29-24)31-8-10-33-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,28,29)(H2,27,30,32)/t15-/m1/s1
InChIKeyZJZXYEAECIHOLY-OAHLLOKOSA-N
XLogP4.54
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrazin-2-ylethylamino)-1H-quinolin-2-one
CID 137393959
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
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-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one
CID 137394346
3-(4-methyl-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyrimidin-2-ylethyl]amino]-1H-quinolin-2-one
CID 137394434
2-methyl-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(1-phenylethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138663002
2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-[[(1R)-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
CID 154698490
2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138662183
4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-7-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-quinolin-2-one
CID 68621837
2-morpholin-4-yl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115925823
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371

Frequently Asked Questions

What is the IUPAC name of 3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one?
The IUPAC name of 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) is 3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one.
What is the SMILES notation for 3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one?
The canonical SMILES for 3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one is C[C@@H](Nc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)[nH]c2ccccc12)c1cscn1.
What is the InChIKey of 3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one?
The InChIKey is ZJZXYEAECIHOLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-15(21-13-34-14-26-21)27-23-17-4-2-3-5-18(17)30-25(32)22(23)24-28-19-7-6-16(12-20(19)29-24)31-8-10-33-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,28,29)(H2,27,30,32)/t15-/m1/s1.
What are the key properties of 3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one?
3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one has a molecular weight of 472.57 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one is sourced from PubChem (CID 137394588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).