1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione

C19H23N3O4 — CID 175951839

IUPAC1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
SMILESCc1nc2cccc(CCCCCO)c2c(=O)n1N1C(=O)CCCC1=O
InChIInChI=1S/C19H23N3O4/c1-13-20-15-9-5-8-14(7-3-2-4-12-23)18(15)19(26)21(13)22-16(24)10-6-11-17(22)25/h5,8-9,23H,2-4,6-7,10-12H2,1H3
InChIKeyMAVZEMJKBRARGY-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.59
Rot. Bonds6

About 1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione

1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione (PubChem CID 175951839) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
PubChem CID175951839
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
SMILESCc1nc2cccc(CCCCCO)c2c(=O)n1N1C(=O)CCCC1=O
InChIInChI=1S/C19H23N3O4/c1-13-20-15-9-5-8-14(7-3-2-4-12-23)18(15)19(26)21(13)22-16(24)10-6-11-17(22)25/h5,8-9,23H,2-4,6-7,10-12H2,1H3
InChIKeyMAVZEMJKBRARGY-UHFFFAOYSA-N
XLogP1.59
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
The IUPAC name of 1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione (CID 175951839) is 1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione is Cc1nc2cccc(CCCCCO)c2c(=O)n1N1C(=O)CCCC1=O.
What is the InChIKey of 1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
The InChIKey is MAVZEMJKBRARGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-20-15-9-5-8-14(7-3-2-4-12-23)18(15)19(26)21(13)22-16(24)10-6-11-17(22)25/h5,8-9,23H,2-4,6-7,10-12H2,1H3.
What are the key properties of 1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione has a molecular weight of 357.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-hydroxypentyl)-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 175951839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).