7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione

C19H26N4O3 — CID 73216735

IUPAC7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)N3CCN(C)CC3)C=CC2C1=O
InChIInChI=1S/C19H26N4O3/c1-3-4-5-8-23-18(25)15-7-6-14(13-16(15)20-19(23)26)17(24)22-11-9-21(2)10-12-22/h6-7,13,15H,3-5,8-12H2,1-2H3
InChIKeyBQWZWALMVKVKJO-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.47
Rot. Bonds5

About 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione

7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione (PubChem CID 73216735) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione
PubChem CID73216735
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)N3CCN(C)CC3)C=CC2C1=O
InChIInChI=1S/C19H26N4O3/c1-3-4-5-8-23-18(25)15-7-6-14(13-16(15)20-19(23)26)17(24)22-11-9-21(2)10-12-22/h6-7,13,15H,3-5,8-12H2,1-2H3
InChIKeyBQWZWALMVKVKJO-UHFFFAOYSA-N
XLogP1.47
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.47
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-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione?
The IUPAC name of 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione (CID 73216735) is 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione?
The canonical SMILES for 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione is CCCCCN1C(=O)N=C2C=C(C(=O)N3CCN(C)CC3)C=CC2C1=O.
What is the InChIKey of 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione?
The InChIKey is BQWZWALMVKVKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-4-5-8-23-18(25)15-7-6-14(13-16(15)20-19(23)26)17(24)22-11-9-21(2)10-12-22/h6-7,13,15H,3-5,8-12H2,1-2H3.
What are the key properties of 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione?
7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione has a molecular weight of 358.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 73216735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).