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

C18H19N3O2 — CID 701177

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
SMILESCOc1ccc(CCNc2ncnc3ccccc23)cc1OC
InChIInChI=1S/C18H19N3O2/c1-22-16-8-7-13(11-17(16)23-2)9-10-19-18-14-5-3-4-6-15(14)20-12-21-18/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyKOCRGJPCKSQOIA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.30
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine (PubChem CID 701177) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
PubChem CID701177
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
SMILESCOc1ccc(CCNc2ncnc3ccccc23)cc1OC
InChIInChI=1S/C18H19N3O2/c1-22-16-8-7-13(11-17(16)23-2)9-10-19-18-14-5-3-4-6-15(14)20-12-21-18/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyKOCRGJPCKSQOIA-UHFFFAOYSA-N
XLogP3.30
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609
N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67597997
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine
CID 12928849
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 36832499
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 118302959
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)quinazolin-4-amine
CID 91964296
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride
CID 71627680

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine (CID 701177) is N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine is COc1ccc(CCNc2ncnc3ccccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine?
The InChIKey is KOCRGJPCKSQOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-16-8-7-13(11-17(16)23-2)9-10-19-18-14-5-3-4-6-15(14)20-12-21-18/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 701177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).