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

C17H16FN3O2 — CID 110431413

IUPACN-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc2c(NCc3ccccc3F)ncnc2c1OC
InChIInChI=1S/C17H16FN3O2/c1-22-14-8-7-12-15(16(14)23-2)20-10-21-17(12)19-9-11-5-3-4-6-13(11)18/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyVXHROQFWZOHLPQ-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.40
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine (PubChem CID 110431413) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
PubChem CID110431413
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc2c(NCc3ccccc3F)ncnc2c1OC
InChIInChI=1S/C17H16FN3O2/c1-22-14-8-7-12-15(16(14)23-2)20-10-21-17(12)19-9-11-5-3-4-6-13(11)18/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyVXHROQFWZOHLPQ-UHFFFAOYSA-N
XLogP3.40
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.40
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-(furan-2-ylmethyl)-7,8-dimethoxyquinazolin-4-amine
CID 110431410
N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431423
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine
CID 155122341
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine
CID 155799084
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 75493496
9-ethyl-N-[(2-fluorophenyl)methyl]purin-6-amine
CID 165433816
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
CID 64590253
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455299

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine (CID 110431413) is N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine is COc1ccc2c(NCc3ccccc3F)ncnc2c1OC.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine?
The InChIKey is VXHROQFWZOHLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-22-14-8-7-12-15(16(14)23-2)20-10-21-17(12)19-9-11-5-3-4-6-13(11)18/h3-8,10H,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine?
N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine has a molecular weight of 313.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 110431413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).