2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide

C16H19FN4O — CID 127040563

IUPAC2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCC2CCCCC2)c2cccc(F)c2n1
InChIInChI=1S/C16H19FN4O/c17-12-8-4-7-11-13(12)20-16(18)21-14(11)15(22)19-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,19,22)(H2,18,20,21)
InChIKeyOPVPJFZOIIIYNM-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.66
Rot. Bonds3

About 2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide

2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide (PubChem CID 127040563) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide
PubChem CID127040563
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCC2CCCCC2)c2cccc(F)c2n1
InChIInChI=1S/C16H19FN4O/c17-12-8-4-7-11-13(12)20-16(18)21-14(11)15(22)19-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,19,22)(H2,18,20,21)
InChIKeyOPVPJFZOIIIYNM-UHFFFAOYSA-N
XLogP2.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide (CID 127040563) is 2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide is Nc1nc(C(=O)NCC2CCCCC2)c2cccc(F)c2n1.
What is the InChIKey of 2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide?
The InChIKey is OPVPJFZOIIIYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-12-8-4-7-11-13(12)20-16(18)21-14(11)15(22)19-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide?
2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclohexylmethyl)-8-fluoroquinazoline-4-carboxamide is sourced from PubChem (CID 127040563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).