N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine

C18H19N3O — CID 167659658

IUPACN-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
SMILESCCc1ccc(CNc2ncnc3ccc(OC)cc23)cc1
InChIInChI=1S/C18H19N3O/c1-3-13-4-6-14(7-5-13)11-19-18-16-10-15(22-2)8-9-17(16)20-12-21-18/h4-10,12H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyGETDCNMOLOPCTC-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.81
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine

N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine (PubChem CID 167659658) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
PubChem CID167659658
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
SMILESCCc1ccc(CNc2ncnc3ccc(OC)cc23)cc1
InChIInChI=1S/C18H19N3O/c1-3-13-4-6-14(7-5-13)11-19-18-16-10-15(22-2)8-9-17(16)20-12-21-18/h4-10,12H,3,11H2,1-2H3,(H,19,20,21)
InChIKeyGETDCNMOLOPCTC-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 21002595
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine
CID 155524525
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine
CID 21002905
bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium
CID 155026757
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine (CID 167659658) is N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine is CCc1ccc(CNc2ncnc3ccc(OC)cc23)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine?
The InChIKey is GETDCNMOLOPCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-13-4-6-14(7-5-13)11-19-18-16-10-15(22-2)8-9-17(16)20-12-21-18/h4-10,12H,3,11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine?
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 167659658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).