N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane

C25H33N5O2 — CID 143341759

IUPACN'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane
SMILESCC.COc1cc2nc(/N=C/Nc3cccc(C)c3)nc(N3CCCCC3)c2cc1OC
InChIInChI=1S/C23H27N5O2.C2H6/c1-16-8-7-9-17(12-16)24-15-25-23-26-19-14-21(30-3)20(29-2)13-18(19)22(27-23)28-10-5-4-6-11-28;1-2/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,24,25,26,27);1-2H3
InChIKeyLLDVPUHCYBUQOS-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.74
Rot. Bonds6

About N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane

N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane (PubChem CID 143341759) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane.

Molecular Properties

Compound NameN'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane
PubChem CID143341759
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane
SMILESCC.COc1cc2nc(/N=C/Nc3cccc(C)c3)nc(N3CCCCC3)c2cc1OC
InChIInChI=1S/C23H27N5O2.C2H6/c1-16-8-7-9-17(12-16)24-15-25-23-26-19-14-21(30-3)20(29-2)13-18(19)22(27-23)28-10-5-4-6-11-28;1-2/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,24,25,26,27);1-2H3
InChIKeyLLDVPUHCYBUQOS-UHFFFAOYSA-N
XLogP5.74
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide
CID 143341760
2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
CID 134111359
6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
CID 137380754
[4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol
CID 139921676
6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
CID 68781324
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
CID 22330526
6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 22997425
2-benzyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 53245615
2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline
CID 147825530
ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
CID 22146630
6,7-dimethoxy-2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-pyrrolidin-1-ylquinazoline
CID 126466501
4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline
CID 56696133

Frequently Asked Questions

What is the IUPAC name of N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane?
The IUPAC name of N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane (CID 143341759) is N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane.
What is the SMILES notation for N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane?
The canonical SMILES for N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane is CC.COc1cc2nc(/N=C/Nc3cccc(C)c3)nc(N3CCCCC3)c2cc1OC.
What is the InChIKey of N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane?
The InChIKey is LLDVPUHCYBUQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2.C2H6/c1-16-8-7-9-17(12-16)24-15-25-23-26-19-14-21(30-3)20(29-2)13-18(19)22(27-23)28-10-5-4-6-11-28;1-2/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,24,25,26,27);1-2H3.
What are the key properties of N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane?
N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane has a molecular weight of 435.57 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide;ethane is sourced from PubChem (CID 143341759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).