2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide

C17H22N4O — CID 174668363

IUPAC2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide
SMILESCCC(C)NC(=O)c1nc(N)nc2ccc(C3CCC3)cc12
InChIInChI=1S/C17H22N4O/c1-3-10(2)19-16(22)15-13-9-12(11-5-4-6-11)7-8-14(13)20-17(18)21-15/h7-11H,3-6H2,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyWNHMMMVEDQSGDV-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.01
Rot. Bonds4

About 2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide

2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide (PubChem CID 174668363) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide
PubChem CID174668363
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide
SMILESCCC(C)NC(=O)c1nc(N)nc2ccc(C3CCC3)cc12
InChIInChI=1S/C17H22N4O/c1-3-10(2)19-16(22)15-13-9-12(11-5-4-6-11)7-8-14(13)20-17(18)21-15/h7-11H,3-6H2,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyWNHMMMVEDQSGDV-UHFFFAOYSA-N
XLogP3.01
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide (CID 174668363) is 2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide is CCC(C)NC(=O)c1nc(N)nc2ccc(C3CCC3)cc12.
What is the InChIKey of 2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide?
The InChIKey is WNHMMMVEDQSGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-10(2)19-16(22)15-13-9-12(11-5-4-6-11)7-8-14(13)20-17(18)21-15/h7-11H,3-6H2,1-2H3,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide?
2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-6-cyclobutylquinazoline-4-carboxamide is sourced from PubChem (CID 174668363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).