N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine

C17H17N3O2 — CID 21002356

IUPACN-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccccc23)cc1OC
InChIInChI=1S/C17H17N3O2/c1-21-15-8-7-12(9-16(15)22-2)10-18-17-13-5-3-4-6-14(13)19-11-20-17/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyADZMICFBZXHAEZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.26
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine

N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 21002356) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
PubChem CID21002356
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccccc23)cc1OC
InChIInChI=1S/C17H17N3O2/c1-21-15-8-7-12(9-16(15)22-2)10-18-17-13-5-3-4-6-14(13)19-11-20-17/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyADZMICFBZXHAEZ-UHFFFAOYSA-N
XLogP3.26
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 36832499
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
CID 91644459
6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 87021028
N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine
CID 12928849
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609
5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine
CID 55854206
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine (CID 21002356) is N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine is COc1ccc(CNc2ncnc3ccccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is ADZMICFBZXHAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-15-8-7-12(9-16(15)22-2)10-18-17-13-5-3-4-6-14(13)19-11-20-17/h3-9,11H,10H2,1-2H3,(H,18,19,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 295.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 21002356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).