2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol

C26H33N5O2 — CID 121266104

IUPAC2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1
InChIInChI=1S/C26H33N5O2/c1-26(2,32)20-13-19(15-27-16-20)18-3-8-24-23(14-18)25(29-17-28-24)30-21-4-6-22(7-5-21)31-9-11-33-12-10-31/h3,8,13-17,21-22,32H,4-7,9-12H2,1-2H3,(H,28,29,30)
InChIKeyCJRNMJZQWVFTFM-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.97
Rot. Bonds5

About 2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol

2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol (PubChem CID 121266104) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol
PubChem CID121266104
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1
InChIInChI=1S/C26H33N5O2/c1-26(2,32)20-13-19(15-27-16-20)18-3-8-24-23(14-18)25(29-17-28-24)30-21-4-6-22(7-5-21)31-9-11-33-12-10-31/h3,8,13-17,21-22,32H,4-7,9-12H2,1-2H3,(H,28,29,30)
InChIKeyCJRNMJZQWVFTFM-UHFFFAOYSA-N
XLogP3.97
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol (CID 121266104) is 2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol is CC(C)(O)c1cncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1.
What is the InChIKey of 2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
The InChIKey is CJRNMJZQWVFTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-26(2,32)20-13-19(15-27-16-20)18-3-8-24-23(14-18)25(29-17-28-24)30-21-4-6-22(7-5-21)31-9-11-33-12-10-31/h3,8,13-17,21-22,32H,4-7,9-12H2,1-2H3,(H,28,29,30).
What are the key properties of 2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 447.58 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 121266104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).