(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol

C21H18N4O — CID 58919648

IUPAC(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
SMILESOC[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H18N4O/c26-14-19(15-6-2-1-3-7-15)24-21-17-8-4-5-9-18(17)23-20(25-21)16-10-12-22-13-11-16/h1-13,19,26H,14H2,(H,23,24,25)/t19-/m1/s1
InChIKeyRYUUMTARRQPOBP-LJQANCHMSA-N
MW342.40 g/mol
LogP3.84
Rot. Bonds5

About (2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol

(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol (PubChem CID 58919648) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
PubChem CID58919648
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
SMILESOC[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H18N4O/c26-14-19(15-6-2-1-3-7-15)24-21-17-8-4-5-9-18(17)23-20(25-21)16-10-12-22-13-11-16/h1-13,19,26H,14H2,(H,23,24,25)/t19-/m1/s1
InChIKeyRYUUMTARRQPOBP-LJQANCHMSA-N
XLogP3.84
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol (CID 58919648) is (2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol is OC[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol?
The InChIKey is RYUUMTARRQPOBP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18N4O/c26-14-19(15-6-2-1-3-7-15)24-21-17-8-4-5-9-18(17)23-20(25-21)16-10-12-22-13-11-16/h1-13,19,26H,14H2,(H,23,24,25)/t19-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol?
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol has a molecular weight of 342.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 58919648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).