N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine

C22H21N3O3 — CID 91964296

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3ccco3)nc3ccccc23)cc1OC
InChIInChI=1S/C22H21N3O3/c1-26-18-10-9-15(14-20(18)27-2)11-12-23-21-16-6-3-4-7-17(16)24-22(25-21)19-8-5-13-28-19/h3-10,13-14H,11-12H2,1-2H3,(H,23,24,25)
InChIKeyXDZVPRQXUOFAMK-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.56
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine (PubChem CID 91964296) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
PubChem CID91964296
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3ccco3)nc3ccccc23)cc1OC
InChIInChI=1S/C22H21N3O3/c1-26-18-10-9-15(14-20(18)27-2)11-12-23-21-16-6-3-4-7-17(16)24-22(25-21)19-8-5-13-28-19/h3-10,13-14H,11-12H2,1-2H3,(H,23,24,25)
InChIKeyXDZVPRQXUOFAMK-UHFFFAOYSA-N
XLogP4.56
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 91964583
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
CID 91964310
ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetate
CID 3592298
2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine
CID 20963212
2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine
CID 91964581
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-methylguanidine
CID 111836221
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1405616
9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride
CID 117068960
2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
CID 171988113
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
CID 16637848

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine (CID 91964296) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine is COc1ccc(CCNc2nc(-c3ccco3)nc3ccccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine?
The InChIKey is XDZVPRQXUOFAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-26-18-10-9-15(14-20(18)27-2)11-12-23-21-16-6-3-4-7-17(16)24-22(25-21)19-8-5-13-28-19/h3-10,13-14H,11-12H2,1-2H3,(H,23,24,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine has a molecular weight of 375.43 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 91964296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).