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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-decyl-2,3-dimethylquinazolin-4-one
CID 175348945
4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
CID 69304027
1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156579406
2-hydroxy-6-(15-hydroxypentadecyl)benzoic acid
CID 177472743
2-hydroxy-6-(5-hydroxypentyl)benzoic acid
CID 127037290
3-(2-methyl-1,3-benzoxazol-7-yl)propan-1-ol
CID 117282272
4-[2-methyl-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]-4-oxoquinazolin-3-yl]cyclohexane-1,3-dione
CID 159878493
1-[3-methyl-4-[3-[3-(methylamino)cyclobutyl]oxypropyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 177370653
ethane;6-[9-(6-hydroxyhexyl)perylen-3-yl]hexan-1-ol
CID 145401307
(8-pentylnaphthalen-1-yl)methanol
CID 101074092
2-(6-hydroxyhexyl)cycloprop-2-en-1-one
CID 10975707
2-methyl-5-[8-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]octyl]-3H-quinazolin-4-one
CID 175937880

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).