2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one

C13H15N3O — CID 84792832

IUPAC2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one
SMILESCn1c(C2(CN)CC2)nc2ccccc2c1=O
InChIInChI=1S/C13H15N3O/c1-16-11(17)9-4-2-3-5-10(9)15-12(16)13(8-14)6-7-13/h2-5H,6-8,14H2,1H3
InChIKeyWEHMMDDNBILKFS-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.92
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one

2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one (PubChem CID 84792832) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one
PubChem CID84792832
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one
SMILESCn1c(C2(CN)CC2)nc2ccccc2c1=O
InChIInChI=1S/C13H15N3O/c1-16-11(17)9-4-2-3-5-10(9)15-12(16)13(8-14)6-7-13/h2-5H,6-8,14H2,1H3
InChIKeyWEHMMDDNBILKFS-UHFFFAOYSA-N
XLogP0.92
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one (CID 84792832) is 2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one is Cn1c(C2(CN)CC2)nc2ccccc2c1=O.
What is the InChIKey of 2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one?
The InChIKey is WEHMMDDNBILKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-11(17)9-4-2-3-5-10(9)15-12(16)13(8-14)6-7-13/h2-5H,6-8,14H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one?
2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one has a molecular weight of 229.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 84792832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).