N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine

C18H18FN3O2 — CID 110431423

IUPACN-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc2c(NCCc3ccc(F)cc3)ncnc2c1OC
InChIInChI=1S/C18H18FN3O2/c1-23-15-8-7-14-16(17(15)24-2)21-11-22-18(14)20-10-9-12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyJEGNASZEZMKWKJ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.44
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine

N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine (PubChem CID 110431423) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine
PubChem CID110431423
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc2c(NCCc3ccc(F)cc3)ncnc2c1OC
InChIInChI=1S/C18H18FN3O2/c1-23-15-8-7-14-16(17(15)24-2)21-11-22-18(14)20-10-9-12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyJEGNASZEZMKWKJ-UHFFFAOYSA-N
XLogP3.44
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431413
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 2009604
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541754
7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine
CID 155122341
3-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
CID 122048149
N-(furan-2-ylmethyl)-7,8-dimethoxyquinazolin-4-amine
CID 110431410
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728744

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine (CID 110431423) is N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine is COc1ccc2c(NCCc3ccc(F)cc3)ncnc2c1OC.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine?
The InChIKey is JEGNASZEZMKWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-23-15-8-7-14-16(17(15)24-2)21-11-22-18(14)20-10-9-12-3-5-13(19)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine?
N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine has a molecular weight of 327.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 110431423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).