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

C15H19N3O — CID 43428646

IUPAC3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one
SMILESNCC1CCCCC1n1cnc2ccccc2c1=O
InChIInChI=1S/C15H19N3O/c16-9-11-5-1-4-8-14(11)18-10-17-13-7-3-2-6-12(13)15(18)19/h2-3,6-7,10-11,14H,1,4-5,8-9,16H2
InChIKeyOFOBCTMYPZSZLQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.09
Rot. Bonds2

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

3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one (PubChem CID 43428646) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one
PubChem CID43428646
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one
SMILESNCC1CCCCC1n1cnc2ccccc2c1=O
InChIInChI=1S/C15H19N3O/c16-9-11-5-1-4-8-14(11)18-10-17-13-7-3-2-6-12(13)15(18)19/h2-3,6-7,10-11,14H,1,4-5,8-9,16H2
InChIKeyOFOBCTMYPZSZLQ-UHFFFAOYSA-N
XLogP2.09
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one
CID 43329401
3-[2-(aminomethyl)cyclohexyl]-1,2,3-benzotriazin-4-one
CID 43589270
3-cyclobutylquinazolin-4-one
CID 171781936
3-pyrrolidin-2-ylquinazolin-4-one
CID 117263616
1-[2-(aminomethyl)cyclohexyl]pyridin-2-one
CID 43428508
3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 124510058
3-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,3-benzotriazin-4-one
CID 43589272
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567
[2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine
CID 61070468
3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113784
3-(1-benzylsulfonylpiperidin-4-yl)quinazolin-4-one
CID 53010931
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one?
The IUPAC name of 3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one (CID 43428646) is 3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one is NCC1CCCCC1n1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one?
The InChIKey is OFOBCTMYPZSZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-11-5-1-4-8-14(11)18-10-17-13-7-3-2-6-12(13)15(18)19/h2-3,6-7,10-11,14H,1,4-5,8-9,16H2.
What are the key properties of 3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one?
3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one has a molecular weight of 257.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one is sourced from PubChem (CID 43428646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).