1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol

C23H19N5O — CID 175604572

IUPAC1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
SMILESOC(CNc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1
InChIInChI=1S/C23H19N5O/c29-21(15-5-2-1-3-6-15)13-26-23-18-11-16(8-9-20(18)27-14-28-23)19-12-25-22-17(19)7-4-10-24-22/h1-12,14,21,29H,13H2,(H,24,25)(H,26,27,28)
InChIKeyWGNHFGLWDANFBX-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.32
Rot. Bonds5

About 1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol

1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol (PubChem CID 175604572) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
PubChem CID175604572
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
SMILESOC(CNc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1
InChIInChI=1S/C23H19N5O/c29-21(15-5-2-1-3-6-15)13-26-23-18-11-16(8-9-20(18)27-14-28-23)19-12-25-22-17(19)7-4-10-24-22/h1-12,14,21,29H,13H2,(H,24,25)(H,26,27,28)
InChIKeyWGNHFGLWDANFBX-UHFFFAOYSA-N
XLogP4.32
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
CID 175604579
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016
3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 143384633
(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol
CID 124743600
1-phenyl-2-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)ethanol
CID 56900977
4-[(2-hydroxy-2-phenylethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956079
N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine
CID 121380379
(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 94817432
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80778733
2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid
CID 67086504
2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
CID 43498854

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol (CID 175604572) is 1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol is OC(CNc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol?
The InChIKey is WGNHFGLWDANFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c29-21(15-5-2-1-3-6-15)13-26-23-18-11-16(8-9-20(18)27-14-28-23)19-12-25-22-17(19)7-4-10-24-22/h1-12,14,21,29H,13H2,(H,24,25)(H,26,27,28).
What are the key properties of 1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol?
1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol has a molecular weight of 381.44 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-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 175604572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).