2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide

C18H24N4O2 — CID 8679806

IUPAC2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
SMILESNC(=O)Cn1c(CN2CCCCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H24N4O2/c19-16(23)12-22-17(13-21-10-6-2-1-3-7-11-21)20-15-9-5-4-8-14(15)18(22)24/h4-5,8-9H,1-3,6-7,10-13H2,(H2,19,23)
InChIKeyMRXBKOZCXAGLJV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.65
Rot. Bonds4

About 2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide

2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide (PubChem CID 8679806) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
PubChem CID8679806
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
SMILESNC(=O)Cn1c(CN2CCCCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H24N4O2/c19-16(23)12-22-17(13-21-10-6-2-1-3-7-11-21)20-15-9-5-4-8-14(15)18(22)24/h4-5,8-9H,1-3,6-7,10-13H2,(H2,19,23)
InChIKeyMRXBKOZCXAGLJV-UHFFFAOYSA-N
XLogP1.65
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
CID 8754555
N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
N-(4-methylphenyl)-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 4606267
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium
CID 8558706
2-(piperidin-1-ylmethyl)-3-prop-2-enylquinazolin-4-one
CID 124927087
N-[(1S,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 1166555
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 9132793
2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide
CID 8595292
2-[2-[(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4-oxoquinazolin-3-yl]acetamide
CID 17414375
2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one
CID 991488

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of 2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide (CID 8679806) is 2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for 2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide is NC(=O)Cn1c(CN2CCCCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is MRXBKOZCXAGLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-16(23)12-22-17(13-21-10-6-2-1-3-7-11-21)20-15-9-5-4-8-14(15)18(22)24/h4-5,8-9H,1-3,6-7,10-13H2,(H2,19,23).
What are the key properties of 2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 8679806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).