8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one

C9H11N3O — CID 143550005

IUPAC8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one
SMILESNCc1cccc2c1NC(=O)NC2
InChIInChI=1S/C9H11N3O/c10-4-6-2-1-3-7-5-11-9(13)12-8(6)7/h1-3H,4-5,10H2,(H2,11,12,13)
InChIKeyYGXGHNIJWUSUFB-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.78
Rot. Bonds1

About 8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one

8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 143550005) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one
PubChem CID143550005
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one
SMILESNCc1cccc2c1NC(=O)NC2
InChIInChI=1S/C9H11N3O/c10-4-6-2-1-3-7-5-11-9(13)12-8(6)7/h1-3H,4-5,10H2,(H2,11,12,13)
InChIKeyYGXGHNIJWUSUFB-UHFFFAOYSA-N
XLogP0.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one (CID 143550005) is 8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one is NCc1cccc2c1NC(=O)NC2.
What is the InChIKey of 8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is YGXGHNIJWUSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-4-6-2-1-3-7-5-11-9(13)12-8(6)7/h1-3H,4-5,10H2,(H2,11,12,13).
What are the key properties of 8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one?
8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 177.21 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 143550005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).