2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol

C23H22N4O — CID 166631877

IUPAC2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol
SMILESCC(C)c1ccccc1-c1nc(NCc2ncccc2O)c2ccccc2n1
InChIInChI=1S/C23H22N4O/c1-15(2)16-8-3-4-9-17(16)23-26-19-11-6-5-10-18(19)22(27-23)25-14-20-21(28)12-7-13-24-20/h3-13,15,28H,14H2,1-2H3,(H,25,26,27)
InChIKeyLYUVRHKEXMYJHA-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.13
Rot. Bonds5

About 2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol

2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol (PubChem CID 166631877) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol
PubChem CID166631877
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol
SMILESCC(C)c1ccccc1-c1nc(NCc2ncccc2O)c2ccccc2n1
InChIInChI=1S/C23H22N4O/c1-15(2)16-8-3-4-9-17(16)23-26-19-11-6-5-10-18(19)22(27-23)25-14-20-21(28)12-7-13-24-20/h3-13,15,28H,14H2,1-2H3,(H,25,26,27)
InChIKeyLYUVRHKEXMYJHA-UHFFFAOYSA-N
XLogP5.13
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol?
The IUPAC name of 2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol (CID 166631877) is 2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol is CC(C)c1ccccc1-c1nc(NCc2ncccc2O)c2ccccc2n1.
What is the InChIKey of 2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol?
The InChIKey is LYUVRHKEXMYJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15(2)16-8-3-4-9-17(16)23-26-19-11-6-5-10-18(19)22(27-23)25-14-20-21(28)12-7-13-24-20/h3-13,15,28H,14H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol?
2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol has a molecular weight of 370.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2-propan-2-ylphenyl)quinazolin-4-yl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 166631877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).