8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol

C27H27FN6O2 — CID 137394555

IUPAC8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol
SMILESC[C@H](NC1=C(c2nc3ccc(N4CCOCC4)cc3[nH]2)C(O)Nc2c(F)cccc21)c1ccccn1
InChIInChI=1S/C27H27FN6O2/c1-16(20-7-2-3-10-29-20)30-25-18-5-4-6-19(28)24(18)33-27(35)23(25)26-31-21-9-8-17(15-22(21)32-26)34-11-13-36-14-12-34/h2-10,15-16,27,30,33,35H,11-14H2,1H3,(H,31,32)/t16-,27?/m0/s1
InChIKeyQEOLWJOZLRUICT-CJKOFORZSA-N
MW486.55 g/mol
LogP3.90
Rot. Bonds5

About 8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol

8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol (PubChem CID 137394555) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is 8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol.

Molecular Properties

Compound Name8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol
PubChem CID137394555
Molecular FormulaC27H27FN6O2
Molecular Weight486.55 g/mol
Exact Mass486.22
IUPAC Name8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol
SMILESC[C@H](NC1=C(c2nc3ccc(N4CCOCC4)cc3[nH]2)C(O)Nc2c(F)cccc21)c1ccccn1
InChIInChI=1S/C27H27FN6O2/c1-16(20-7-2-3-10-29-20)30-25-18-5-4-6-19(28)24(18)33-27(35)23(25)26-31-21-9-8-17(15-22(21)32-26)34-11-13-36-14-12-34/h2-10,15-16,27,30,33,35H,11-14H2,1H3,(H,31,32)/t16-,27?/m0/s1
InChIKeyQEOLWJOZLRUICT-CJKOFORZSA-N
XLogP3.90
TPSA98.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol with MolForge

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Launch Full Analysis

Related Compounds

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-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrazin-2-ylethylamino)-1H-quinolin-2-one
CID 137393959
2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
CID 168554407
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
3-methoxy-5-[6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzene-1,2-diol
CID 162530804
2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530956
3-[6-[(2R)-2-methylmorpholin-4-yl]-1H-benzimidazol-2-yl]-4-[[(1S)-1-pyrimidin-2-ylethyl]amino]-1H-quinolin-2-one
CID 137394563
2-(difluoromethyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561081
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
3-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrimidin-2-ylethylamino)-1H-quinolin-2-one
CID 137394346
2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline
CID 43682397
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

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol?
The IUPAC name of 8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol (CID 137394555) is 8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol.
What is the SMILES notation for 8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol?
The canonical SMILES for 8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol is C[C@H](NC1=C(c2nc3ccc(N4CCOCC4)cc3[nH]2)C(O)Nc2c(F)cccc21)c1ccccn1.
What is the InChIKey of 8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol?
The InChIKey is QEOLWJOZLRUICT-CJKOFORZSA-N. The full InChI is InChI=1S/C27H27FN6O2/c1-16(20-7-2-3-10-29-20)30-25-18-5-4-6-19(28)24(18)33-27(35)23(25)26-31-21-9-8-17(15-22(21)32-26)34-11-13-36-14-12-34/h2-10,15-16,27,30,33,35H,11-14H2,1H3,(H,31,32)/t16-,27?/m0/s1.
What are the key properties of 8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol?
8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol has a molecular weight of 486.55 g/mol, XLogP of 3.90, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1S)-1-pyridin-2-ylethyl]amino]-1,2-dihydroquinolin-2-ol is sourced from PubChem (CID 137394555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).