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

C23H19N5O — CID 175604579

IUPAC2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
SMILESOCC(Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1
InChIInChI=1S/C23H19N5O/c29-13-21(15-5-2-1-3-6-15)28-23-18-11-16(8-9-20(18)26-14-27-23)19-12-25-22-17(19)7-4-10-24-22/h1-12,14,21,29H,13H2,(H,24,25)(H,26,27,28)
InChIKeyOYVBBBNYTNSCKF-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.32
Rot. Bonds5

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

2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol (PubChem CID 175604579) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
PubChem CID175604579
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
SMILESOCC(Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1
InChIInChI=1S/C23H19N5O/c29-13-21(15-5-2-1-3-6-15)28-23-18-11-16(8-9-20(18)26-14-27-23)19-12-25-22-17(19)7-4-10-24-22/h1-12,14,21,29H,13H2,(H,24,25)(H,26,27,28)
InChIKeyOYVBBBNYTNSCKF-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

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

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Related Compounds

1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
CID 175604572
2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol
CID 65336697
(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
CID 107862127
4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol
CID 134155401
2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol
CID 133445213
N-(1,2-diphenylethyl)quinazolin-4-amine
CID 67604516
3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 139197585
3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 143384633
(2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 148887710
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 141465418
3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
CID 2789318

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol (CID 175604579) is 2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol is OCC(Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol?
The InChIKey is OYVBBBNYTNSCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c29-13-21(15-5-2-1-3-6-15)28-23-18-11-16(8-9-20(18)26-14-27-23)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 2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol?
2-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 2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 175604579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).