2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one

C20H28N4O2 — CID 135569895

IUPAC2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one
SMILESCCN(CC(=O)N1CCCCCCC1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H28N4O2/c1-2-23(15-19(25)24-12-8-4-3-5-9-13-24)14-18-21-17-11-7-6-10-16(17)20(26)22-18/h6-7,10-11H,2-5,8-9,12-15H2,1H3,(H,21,22,26)
InChIKeyWCIOMKQIUPDNRA-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.54
Rot. Bonds5

About 2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one

2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one (PubChem CID 135569895) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one
PubChem CID135569895
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one
SMILESCCN(CC(=O)N1CCCCCCC1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H28N4O2/c1-2-23(15-19(25)24-12-8-4-3-5-9-13-24)14-18-21-17-11-7-6-10-16(17)20(26)22-18/h6-7,10-11H,2-5,8-9,12-15H2,1H3,(H,21,22,26)
InChIKeyWCIOMKQIUPDNRA-UHFFFAOYSA-N
XLogP2.54
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135928644
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135718628
2-[[ethyl-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135953952
N-(2,6-dimethylphenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808330
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808290
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide
CID 135808434
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
(2-oxo-2-piperidin-1-ylethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135464919
(3R)-3-N-methyl-3-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 136701479
4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide
CID 135926229
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3H-quinazolin-4-one
CID 135415502

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one (CID 135569895) is 2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one is CCN(CC(=O)N1CCCCCCC1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one?
The InChIKey is WCIOMKQIUPDNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-23(15-19(25)24-12-8-4-3-5-9-13-24)14-18-21-17-11-7-6-10-16(17)20(26)22-18/h6-7,10-11H,2-5,8-9,12-15H2,1H3,(H,21,22,26).
What are the key properties of 2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one?
2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one has a molecular weight of 356.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135569895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).