2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide

C15H17FN4O — CID 133428030

IUPAC2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C15H17FN4O/c16-9-5-6-12-11(7-9)15(19-8-18-12)20-13-4-2-1-3-10(13)14(17)21/h5-8,10,13H,1-4H2,(H2,17,21)(H,18,19,20)
InChIKeyDOCSCVGHCRHZLY-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.22
Rot. Bonds3

About 2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide

2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 133428030) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID133428030
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C15H17FN4O/c16-9-5-6-12-11(7-9)15(19-8-18-12)20-13-4-2-1-3-10(13)14(17)21/h5-8,10,13H,1-4H2,(H2,17,21)(H,18,19,20)
InChIKeyDOCSCVGHCRHZLY-UHFFFAOYSA-N
XLogP2.22
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide (CID 133428030) is 2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCCCC1Nc1ncnc2ccc(F)cc12.
What is the InChIKey of 2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is DOCSCVGHCRHZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-9-5-6-12-11(7-9)15(19-8-18-12)20-13-4-2-1-3-10(13)14(17)21/h5-8,10,13H,1-4H2,(H2,17,21)(H,18,19,20).
What are the key properties of 2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide?
2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 133428030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).