5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione

C17H21Cl2N3O2 — CID 139773469

IUPAC5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCCN2CCCCC2)c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C17H21Cl2N3O2/c18-12-10-13(19)15-14(11-12)22(17(24)20-16(15)23)9-5-4-8-21-6-2-1-3-7-21/h10-11H,1-9H2,(H,20,23,24)
InChIKeyJKIDXLSWCONWKY-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.26
Rot. Bonds5

About 5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione

5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione (PubChem CID 139773469) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione
PubChem CID139773469
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCCN2CCCCC2)c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C17H21Cl2N3O2/c18-12-10-13(19)15-14(11-12)22(17(24)20-16(15)23)9-5-4-8-21-6-2-1-3-7-21/h10-11H,1-9H2,(H,20,23,24)
InChIKeyJKIDXLSWCONWKY-UHFFFAOYSA-N
XLogP3.26
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 139805076
3-[5-[4-(2,4-dichlorophenyl)piperazin-1-yl]pentyl]-1H-benzimidazol-2-one
CID 165128018
N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide
CID 139805061
5-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-dione
CID 66425170
3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one
CID 23369424
2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
CID 11846558
6-chloro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione
CID 19087747
methyl 2-[2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)ethoxy]benzenecarboximidate
CID 139773525
3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-5-chloro-1H-benzimidazol-2-one
CID 13105521
3-[3-[4-[(2,4-dichlorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one
CID 13105572
5,6-dichloro-3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 21424827
1-(5-chloropentyl)quinazoline-2,4-dione
CID 22449700

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione?
The IUPAC name of 5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione (CID 139773469) is 5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione.
What is the SMILES notation for 5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione?
The canonical SMILES for 5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione is O=c1[nH]c(=O)n(CCCCN2CCCCC2)c2cc(Cl)cc(Cl)c12.
What is the InChIKey of 5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione?
The InChIKey is JKIDXLSWCONWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c18-12-10-13(19)15-14(11-12)22(17(24)20-16(15)23)9-5-4-8-21-6-2-1-3-7-21/h10-11H,1-9H2,(H,20,23,24).
What are the key properties of 5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione?
5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione has a molecular weight of 370.28 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione is sourced from PubChem (CID 139773469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).