N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide

C39H59IN10O8V — CID 160782780

IUPACN-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide
SMILESCC(=O)C1CCCO1.COc1cc2nc(N(C)CCCN)nc(N)c2cc1OC.COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.I.[V]
InChIInChI=1S/C19H27N5O4.C14H21N5O2.C6H10O2.HI.V/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14;1-5(7)6-3-2-4-8-6;;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);7-8H,4-6,15H2,1-3H3,(H2,16,17,18);6H,2-4H2,1H3;1H;
InChIKeyJWYUVIURTUCORX-UHFFFAOYSA-N
MW973.81 g/mol
LogP3.73
Rot. Bonds15

About N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide

N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide (PubChem CID 160782780) has the molecular formula C39H59IN10O8V and a molecular weight of 973.81 g/mol. Its IUPAC name is N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide.

Molecular Properties

Compound NameN-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide
PubChem CID160782780
Molecular FormulaC39H59IN10O8V
Molecular Weight973.81 g/mol
Exact Mass973.30
IUPAC NameN-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide
SMILESCC(=O)C1CCCO1.COc1cc2nc(N(C)CCCN)nc(N)c2cc1OC.COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.I.[V]
InChIInChI=1S/C19H27N5O4.C14H21N5O2.C6H10O2.HI.V/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14;1-5(7)6-3-2-4-8-6;;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);7-8H,4-6,15H2,1-3H3,(H2,16,17,18);6H,2-4H2,1H3;1H;
InChIKeyJWYUVIURTUCORX-UHFFFAOYSA-N
XLogP3.73
TPSA237.65 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.81
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide?
The IUPAC name of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide (CID 160782780) is N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide.
What is the SMILES notation for N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide?
The canonical SMILES for N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide is CC(=O)C1CCCO1.COc1cc2nc(N(C)CCCN)nc(N)c2cc1OC.COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.I.[V].
What is the InChIKey of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide?
The InChIKey is JWYUVIURTUCORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4.C14H21N5O2.C6H10O2.HI.V/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14;1-5(7)6-3-2-4-8-6;;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);7-8H,4-6,15H2,1-3H3,(H2,16,17,18);6H,2-4H2,1H3;1H;.
What are the key properties of N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide?
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide has a molecular weight of 973.81 g/mol, XLogP of 3.73, 15 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine;1-(oxolan-2-yl)ethanone;vanadium;hydroiodide is sourced from PubChem (CID 160782780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).