2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

C18H23N3O2S — CID 2988835

IUPAC2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC(C)OCCCNc1ncc2c(n1)CC(c1cccs1)CC2=O
InChIInChI=1S/C18H23N3O2S/c1-12(2)23-7-4-6-19-18-20-11-14-15(21-18)9-13(10-16(14)22)17-5-3-8-24-17/h3,5,8,11-13H,4,6-7,9-10H2,1-2H3,(H,19,20,21)
InChIKeyDALFSXOGIRDIEK-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.68
Rot. Bonds7

About 2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2988835) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2988835
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC(C)OCCCNc1ncc2c(n1)CC(c1cccs1)CC2=O
InChIInChI=1S/C18H23N3O2S/c1-12(2)23-7-4-6-19-18-20-11-14-15(21-18)9-13(10-16(14)22)17-5-3-8-24-17/h3,5,8,11-13H,4,6-7,9-10H2,1-2H3,(H,19,20,21)
InChIKeyDALFSXOGIRDIEK-UHFFFAOYSA-N
XLogP3.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one (CID 2988835) is 2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is CC(C)OCCCNc1ncc2c(n1)CC(c1cccs1)CC2=O.
What is the InChIKey of 2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is DALFSXOGIRDIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)23-7-4-6-19-18-20-11-14-15(21-18)9-13(10-16(14)22)17-5-3-8-24-17/h3,5,8,11-13H,4,6-7,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one?
2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 345.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxypropylamino)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2988835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).