4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one

C17H26N4O2 — CID 17190307

IUPAC4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(NCCCN2CCOCC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C17H26N4O2/c1-12-10-14-16(15(22)11-12)13(2)19-17(20-14)18-4-3-5-21-6-8-23-9-7-21/h12H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyVNMKNKXRYLZGBM-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.68
Rot. Bonds5

About 4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one

4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 17190307) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID17190307
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(NCCCN2CCOCC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C17H26N4O2/c1-12-10-14-16(15(22)11-12)13(2)19-17(20-14)18-4-3-5-21-6-8-23-9-7-21/h12H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyVNMKNKXRYLZGBM-UHFFFAOYSA-N
XLogP1.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.68
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 4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 17190307) is 4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(NCCCN2CCOCC2)nc2c1C(=O)CC(C)C2.
What is the InChIKey of 4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is VNMKNKXRYLZGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-10-14-16(15(22)11-12)13(2)19-17(20-14)18-4-3-5-21-6-8-23-9-7-21/h12H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of 4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one?
4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 318.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-(3-morpholin-4-ylpropylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 17190307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).