3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one

C14H17N3O — CID 43329401

IUPAC3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one
SMILESNCC1CCCC1n1cnc2ccccc2c1=O
InChIInChI=1S/C14H17N3O/c15-8-10-4-3-7-13(10)17-9-16-12-6-2-1-5-11(12)14(17)18/h1-2,5-6,9-10,13H,3-4,7-8,15H2
InChIKeyOPJJBJJMOZSKBF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.70
Rot. Bonds2

About 3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one

3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one (PubChem CID 43329401) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one
PubChem CID43329401
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one
SMILESNCC1CCCC1n1cnc2ccccc2c1=O
InChIInChI=1S/C14H17N3O/c15-8-10-4-3-7-13(10)17-9-16-12-6-2-1-5-11(12)14(17)18/h1-2,5-6,9-10,13H,3-4,7-8,15H2
InChIKeyOPJJBJJMOZSKBF-UHFFFAOYSA-N
XLogP1.70
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one?
The IUPAC name of 3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one (CID 43329401) is 3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one is NCC1CCCC1n1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one?
The InChIKey is OPJJBJJMOZSKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-8-10-4-3-7-13(10)17-9-16-12-6-2-1-5-11(12)14(17)18/h1-2,5-6,9-10,13H,3-4,7-8,15H2.
What are the key properties of 3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one?
3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one has a molecular weight of 243.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one is sourced from PubChem (CID 43329401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).