N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride

C20H30ClN5O4 — CID 12919460

IUPACN-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride
SMILESCOc1cc2nc(N(C)CCCN(C)C(=O)C3CCCO3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C20H29N5O4.ClH/c1-24(19(26)15-7-5-10-29-15)8-6-9-25(2)20-22-14-12-17(28-4)16(27-3)11-13(14)18(21)23-20;/h11-12,15H,5-10H2,1-4H3,(H2,21,22,23);1H
InChIKeyFRPRAARLSOJYBL-UHFFFAOYSA-N
MW439.94 g/mol
LogP2.11
Rot. Bonds8

About N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride

N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride (PubChem CID 12919460) has the molecular formula C20H30ClN5O4 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride
PubChem CID12919460
Molecular FormulaC20H30ClN5O4
Molecular Weight439.94 g/mol
Exact Mass439.20
IUPAC NameN-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride
SMILESCOc1cc2nc(N(C)CCCN(C)C(=O)C3CCCO3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C20H29N5O4.ClH/c1-24(19(26)15-7-5-10-29-15)8-6-9-25(2)20-22-14-12-17(28-4)16(27-3)11-13(14)18(21)23-20;/h11-12,15H,5-10H2,1-4H3,(H2,21,22,23);1H
InChIKeyFRPRAARLSOJYBL-UHFFFAOYSA-N
XLogP2.11
TPSA103.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride (CID 12919460) is N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride is COc1cc2nc(N(C)CCCN(C)C(=O)C3CCCO3)nc(N)c2cc1OC.Cl.
What is the InChIKey of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride?
The InChIKey is FRPRAARLSOJYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4.ClH/c1-24(19(26)15-7-5-10-29-15)8-6-9-25(2)20-22-14-12-17(28-4)16(27-3)11-13(14)18(21)23-20;/h11-12,15H,5-10H2,1-4H3,(H2,21,22,23);1H.
What are the key properties of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride?
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride has a molecular weight of 439.94 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 12919460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).