2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide

C15H16F2N4O — CID 71850491

IUPAC2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1Nc1ncnc2cc(F)c(F)cc12
InChIInChI=1S/C15H16F2N4O/c16-10-5-9-13(6-11(10)17)19-7-20-15(9)21-12-4-2-1-3-8(12)14(18)22/h5-8,12H,1-4H2,(H2,18,22)(H,19,20,21)
InChIKeyCUAYWECQWYSZKO-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.36
Rot. Bonds3

About 2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide

2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 71850491) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID71850491
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1Nc1ncnc2cc(F)c(F)cc12
InChIInChI=1S/C15H16F2N4O/c16-10-5-9-13(6-11(10)17)19-7-20-15(9)21-12-4-2-1-3-8(12)14(18)22/h5-8,12H,1-4H2,(H2,18,22)(H,19,20,21)
InChIKeyCUAYWECQWYSZKO-UHFFFAOYSA-N
XLogP2.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide (CID 71850491) is 2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCCCC1Nc1ncnc2cc(F)c(F)cc12.
What is the InChIKey of 2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is CUAYWECQWYSZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c16-10-5-9-13(6-11(10)17)19-7-20-15(9)21-12-4-2-1-3-8(12)14(18)22/h5-8,12H,1-4H2,(H2,18,22)(H,19,20,21).
What are the key properties of 2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide?
2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 71850491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).