4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol

C20H21N3O2 — CID 58082649

IUPAC4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc3ccc(Oc4ccccc4)cc3n2)CC1
InChIInChI=1S/C20H21N3O2/c24-16-9-7-15(8-10-16)22-20-21-13-14-6-11-18(12-19(14)23-20)25-17-4-2-1-3-5-17/h1-6,11-13,15-16,24H,7-10H2,(H,21,22,23)
InChIKeyBNDHAMSVRAHSDN-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.14
Rot. Bonds4

About 4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol

4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol (PubChem CID 58082649) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol
PubChem CID58082649
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ncc3ccc(Oc4ccccc4)cc3n2)CC1
InChIInChI=1S/C20H21N3O2/c24-16-9-7-15(8-10-16)22-20-21-13-14-6-11-18(12-19(14)23-20)25-17-4-2-1-3-5-17/h1-6,11-13,15-16,24H,7-10H2,(H,21,22,23)
InChIKeyBNDHAMSVRAHSDN-UHFFFAOYSA-N
XLogP4.14
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol (CID 58082649) is 4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2ncc3ccc(Oc4ccccc4)cc3n2)CC1.
What is the InChIKey of 4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is BNDHAMSVRAHSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-16-9-7-15(8-10-16)22-20-21-13-14-6-11-18(12-19(14)23-20)25-17-4-2-1-3-5-17/h1-6,11-13,15-16,24H,7-10H2,(H,21,22,23).
What are the key properties of 4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol?
4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 335.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-phenoxyquinazolin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 58082649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).