1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione

C17H25N3O3 — CID 20600956

IUPAC1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=C1CCCCCN1CCCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C17H25N3O3/c21-15-9-2-1-5-10-19(15)11-6-12-20-14-8-4-3-7-13(14)16(22)18-17(20)23/h1-12H2,(H,18,22,23)
InChIKeyDLJXGUYVXAKTCZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.21
Rot. Bonds4

About 1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione

1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione (PubChem CID 20600956) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
PubChem CID20600956
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=C1CCCCCN1CCCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C17H25N3O3/c21-15-9-2-1-5-10-19(15)11-6-12-20-14-8-4-3-7-13(14)16(22)18-17(20)23/h1-12H2,(H,18,22,23)
InChIKeyDLJXGUYVXAKTCZ-UHFFFAOYSA-N
XLogP1.21
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione (CID 20600956) is 1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione is O=C1CCCCCN1CCCn1c2c(c(=O)[nH]c1=O)CCCC2.
What is the InChIKey of 1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The InChIKey is DLJXGUYVXAKTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-15-9-2-1-5-10-19(15)11-6-12-20-14-8-4-3-7-13(14)16(22)18-17(20)23/h1-12H2,(H,18,22,23).
What are the key properties of 1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione?
1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione has a molecular weight of 319.41 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 20600956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).