1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one

C15H23N3O — CID 82006387

IUPAC1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one
SMILESCCC(C)C(N)CN1C(=O)N(C)Cc2ccccc21
InChIInChI=1S/C15H23N3O/c1-4-11(2)13(16)10-18-14-8-6-5-7-12(14)9-17(3)15(18)19/h5-8,11,13H,4,9-10,16H2,1-3H3
InChIKeyYACRMQBJMIWOIF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.43
Rot. Bonds4

About 1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one

1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one (PubChem CID 82006387) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one
PubChem CID82006387
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one
SMILESCCC(C)C(N)CN1C(=O)N(C)Cc2ccccc21
InChIInChI=1S/C15H23N3O/c1-4-11(2)13(16)10-18-14-8-6-5-7-12(14)9-17(3)15(18)19/h5-8,11,13H,4,9-10,16H2,1-3H3
InChIKeyYACRMQBJMIWOIF-UHFFFAOYSA-N
XLogP2.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one?
The IUPAC name of 1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one (CID 82006387) is 1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one.
What is the SMILES notation for 1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one?
The canonical SMILES for 1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one is CCC(C)C(N)CN1C(=O)N(C)Cc2ccccc21.
What is the InChIKey of 1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one?
The InChIKey is YACRMQBJMIWOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-11(2)13(16)10-18-14-8-6-5-7-12(14)9-17(3)15(18)19/h5-8,11,13H,4,9-10,16H2,1-3H3.
What are the key properties of 1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one?
1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one is sourced from PubChem (CID 82006387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).