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

C23H27N5O2 — CID 143341760

IUPACN'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide
SMILESCOc1cc2nc(/N=C/Nc3cccc(C)c3)nc(N3CCCCC3)c2cc1OC
InChIInChI=1S/C23H27N5O2/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/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,24,25,26,27)
InChIKeyLPUKVDIAJKLBPX-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.72
Rot. Bonds6

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

N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide (PubChem CID 143341760) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide.

Molecular Properties

Compound NameN'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide
PubChem CID143341760
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide
SMILESCOc1cc2nc(/N=C/Nc3cccc(C)c3)nc(N3CCCCC3)c2cc1OC
InChIInChI=1S/C23H27N5O2/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/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,24,25,26,27)
InChIKeyLPUKVDIAJKLBPX-UHFFFAOYSA-N
XLogP4.72
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.72
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;ethane
CID 143341759
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
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
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360419

Frequently Asked Questions

What is the IUPAC name of N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide?
The IUPAC name of N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide (CID 143341760) is N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide.
What is the SMILES notation for N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide?
The canonical SMILES for N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide is 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?
The InChIKey is LPUKVDIAJKLBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/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/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,24,25,26,27).
What are the key properties of N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide?
N'-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)-N-(3-methylphenyl)methanimidamide has a molecular weight of 405.50 g/mol, XLogP of 4.72, 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 is sourced from PubChem (CID 143341760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).