N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

C23H25N3O2 — CID 142433057

IUPACN-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3cccc(/C=C/C4CC4)c3)c2cc1OC
InChIInChI=1S/C23H25N3O2/c1-15-25-20-13-22(28-3)21(27-2)12-19(20)23(26-15)24-14-18-6-4-5-17(11-18)10-9-16-7-8-16/h4-6,9-13,16H,7-8,14H2,1-3H3,(H,24,25,26)/b10-9+
InChIKeyUSBBMEMMSFUKAW-MDZDMXLPSA-N
MW375.47 g/mol
LogP4.99
Rot. Bonds7

About N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (PubChem CID 142433057) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
PubChem CID142433057
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3cccc(/C=C/C4CC4)c3)c2cc1OC
InChIInChI=1S/C23H25N3O2/c1-15-25-20-13-22(28-3)21(27-2)12-19(20)23(26-15)24-14-18-6-4-5-17(11-18)10-9-16-7-8-16/h4-6,9-13,16H,7-8,14H2,1-3H3,(H,24,25,26)/b10-9+
InChIKeyUSBBMEMMSFUKAW-MDZDMXLPSA-N
XLogP4.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane
CID 142432906
7-methoxy-2-methyl-6-[2-(oxetan-3-yloxy)ethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146381
7-methoxy-6-(1-methoxybutan-2-yloxy)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146197
3-[4-[(3-bromophenyl)methylamino]-6-methoxy-2-methylquinazolin-7-yl]oxy-N-methoxy-N-methylpropanamide
CID 171600533
6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-[(E)-3-phenylprop-1-enyl]phenyl]ethyl]quinazolin-4-amine
CID 135336738
7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine
CID 170146464
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142432797
6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
CID 146197360
6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146747
N-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine
CID 170146499

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (CID 142433057) is N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is COc1cc2nc(C)nc(NCc3cccc(/C=C/C4CC4)c3)c2cc1OC.
What is the InChIKey of N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The InChIKey is USBBMEMMSFUKAW-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-25-20-13-22(28-3)21(27-2)12-19(20)23(26-15)24-14-18-6-4-5-17(11-18)10-9-16-7-8-16/h4-6,9-13,16H,7-8,14H2,1-3H3,(H,24,25,26)/b10-9+.
What are the key properties of N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine has a molecular weight of 375.47 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 142433057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).