2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol

C22H20ClN3O2 — CID 146339585

IUPAC2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol
SMILESOCCNCc1coc2c(Nc3cccc(-c4ccccc4)c3Cl)nccc12
InChIInChI=1S/C22H20ClN3O2/c23-20-17(15-5-2-1-3-6-15)7-4-8-19(20)26-22-21-18(9-10-25-22)16(14-28-21)13-24-11-12-27/h1-10,14,24,27H,11-13H2,(H,25,26)
InChIKeyBHFDHZICHXTFHJ-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.97
Rot. Bonds7

About 2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol

2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol (PubChem CID 146339585) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol
PubChem CID146339585
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol
SMILESOCCNCc1coc2c(Nc3cccc(-c4ccccc4)c3Cl)nccc12
InChIInChI=1S/C22H20ClN3O2/c23-20-17(15-5-2-1-3-6-15)7-4-8-19(20)26-22-21-18(9-10-25-22)16(14-28-21)13-24-11-12-27/h1-10,14,24,27H,11-13H2,(H,25,26)
InChIKeyBHFDHZICHXTFHJ-UHFFFAOYSA-N
XLogP4.97
TPSA70.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol with MolForge

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Related Compounds

N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
CID 163732796
2-[[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]ethanol
CID 146339389
N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine
CID 175835015
2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol
CID 146339448
(5R)-5-[[[6-[2-[2-chloro-3-[[3-fluoro-4-[(2-hydroxyethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-fluoro-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 171816139
(2S)-2-[[3-(2-chloro-3-phenylanilino)-1,2-benzoxazol-6-yl]methylamino]-3-hydroxypropanoic acid
CID 166627646
2-[[8-[3-[3-[[3-[(2-hydroxyethylamino)methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]acetic acid
CID 139573258
1-[[3-(2-chloro-3-phenylanilino)-1,2-benzoxazol-5-yl]methyl]azetidine-2-carboxylic acid
CID 166632528
N-[2-chloro-3-[3-chloro-2-[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-4-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
CID 170697294
3-(ethylaminomethyl)-N-(2-methyl-3-phenylphenyl)-1,7-naphthyridin-8-amine
CID 146304542
(5R)-5-[[3-[6-[3-chloro-2-[2-chloro-3-[[3-fluoro-4-[(2-hydroxyethylamino)methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]propylamino]methyl]pyrrolidin-2-one
CID 171816107
2-[(3-phenyl-1H-pyrrolo[2,3-c]pyridin-7-yl)amino]ethanol
CID 86179128

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol?
The IUPAC name of 2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol (CID 146339585) is 2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol?
The canonical SMILES for 2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol is OCCNCc1coc2c(Nc3cccc(-c4ccccc4)c3Cl)nccc12.
What is the InChIKey of 2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol?
The InChIKey is BHFDHZICHXTFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-20-17(15-5-2-1-3-6-15)7-4-8-19(20)26-22-21-18(9-10-25-22)16(14-28-21)13-24-11-12-27/h1-10,14,24,27H,11-13H2,(H,25,26).
What are the key properties of 2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol?
2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol has a molecular weight of 393.87 g/mol, XLogP of 4.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol is sourced from PubChem (CID 146339585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).