7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione

C18H23N3O4 — CID 73217054

IUPAC7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)N3CCOCC3)C=CC2C1=O
InChIInChI=1S/C18H23N3O4/c1-2-3-4-7-21-17(23)14-6-5-13(12-15(14)19-18(21)24)16(22)20-8-10-25-11-9-20/h5-6,12,14H,2-4,7-11H2,1H3
InChIKeyYCDKBHQGFAKNPV-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.55
Rot. Bonds5

About 7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione

7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione (PubChem CID 73217054) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione
PubChem CID73217054
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)N3CCOCC3)C=CC2C1=O
InChIInChI=1S/C18H23N3O4/c1-2-3-4-7-21-17(23)14-6-5-13(12-15(14)19-18(21)24)16(22)20-8-10-25-11-9-20/h5-6,12,14H,2-4,7-11H2,1H3
InChIKeyYCDKBHQGFAKNPV-UHFFFAOYSA-N
XLogP1.55
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione?
The IUPAC name of 7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione (CID 73217054) is 7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione?
The canonical SMILES for 7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione is CCCCCN1C(=O)N=C2C=C(C(=O)N3CCOCC3)C=CC2C1=O.
What is the InChIKey of 7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione?
The InChIKey is YCDKBHQGFAKNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-3-4-7-21-17(23)14-6-5-13(12-15(14)19-18(21)24)16(22)20-8-10-25-11-9-20/h5-6,12,14H,2-4,7-11H2,1H3.
What are the key properties of 7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione?
7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholine-4-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 73217054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).