2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine

C20H24N4O2 — CID 21003978

IUPAC2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
SMILESCOc1ccc(OCCNc2nc(CN(C)C)nc3ccccc23)cc1
InChIInChI=1S/C20H24N4O2/c1-24(2)14-19-22-18-7-5-4-6-17(18)20(23-19)21-12-13-26-16-10-8-15(25-3)9-11-16/h4-11H,12-14H2,1-3H3,(H,21,22,23)
InChIKeyNCPANCWTDLRMDM-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.19
Rot. Bonds8

About 2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine

2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine (PubChem CID 21003978) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
PubChem CID21003978
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
SMILESCOc1ccc(OCCNc2nc(CN(C)C)nc3ccccc23)cc1
InChIInChI=1S/C20H24N4O2/c1-24(2)14-19-22-18-7-5-4-6-17(18)20(23-19)21-12-13-26-16-10-8-15(25-3)9-11-16/h4-11H,12-14H2,1-3H3,(H,21,22,23)
InChIKeyNCPANCWTDLRMDM-UHFFFAOYSA-N
XLogP3.19
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143396865
2-[(dimethylamino)methyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003940
4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
CID 80791774
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
N-methyl-N'-[2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143396543
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
CID 21004071
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine
CID 143396564
3-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]methylamino]propan-1-ol
CID 68519751
methyl 4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]-4-oxobutanoate
CID 58797313
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine (CID 21003978) is 2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine is COc1ccc(OCCNc2nc(CN(C)C)nc3ccccc23)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine?
The InChIKey is NCPANCWTDLRMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-24(2)14-19-22-18-7-5-4-6-17(18)20(23-19)21-12-13-26-16-10-8-15(25-3)9-11-16/h4-11H,12-14H2,1-3H3,(H,21,22,23).
What are the key properties of 2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine?
2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine is sourced from PubChem (CID 21003978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).