N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide

C20H28N4O4 — CID 53321473

IUPACN-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide
SMILESCOc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(C)c2cc1OC
InChIInChI=1S/C20H28N4O4/c1-13-14-11-17(26-3)18(27-4)12-15(14)23-20(22-13)24(2)9-6-8-21-19(25)16-7-5-10-28-16/h11-12,16H,5-10H2,1-4H3,(H,21,25)
InChIKeyTXBBUZOFVGAXEG-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.08
Rot. Bonds8

About N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide

N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide (PubChem CID 53321473) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide
PubChem CID53321473
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide
SMILESCOc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(C)c2cc1OC
InChIInChI=1S/C20H28N4O4/c1-13-14-11-17(26-3)18(27-4)12-15(14)23-20(22-13)24(2)9-6-8-21-19(25)16-7-5-10-28-16/h11-12,16H,5-10H2,1-4H3,(H,21,25)
InChIKeyTXBBUZOFVGAXEG-UHFFFAOYSA-N
XLogP2.08
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide (CID 53321473) is N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide is COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(C)c2cc1OC.
What is the InChIKey of N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide?
The InChIKey is TXBBUZOFVGAXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-13-14-11-17(26-3)18(27-4)12-15(14)23-20(22-13)24(2)9-6-8-21-19(25)16-7-5-10-28-16/h11-12,16H,5-10H2,1-4H3,(H,21,25).
What are the key properties of N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide?
N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 53321473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).