8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine

C22H19FN4O — CID 137469978

IUPAC8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2c(F)cccc12
InChIInChI=1S/C22H19FN4O/c1-27(13-14-28-17-8-3-2-4-9-17)22-18-10-5-11-19(23)20(18)25-21(26-22)16-7-6-12-24-15-16/h2-12,15H,13-14H2,1H3
InChIKeyBXGMBYONPAGQPT-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.35
Rot. Bonds6

About 8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine

8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 137469978) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID137469978
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2c(F)cccc12
InChIInChI=1S/C22H19FN4O/c1-27(13-14-28-17-8-3-2-4-9-17)22-18-10-5-11-19(23)20(18)25-21(26-22)16-7-6-12-24-15-16/h2-12,15H,13-14H2,1H3
InChIKeyBXGMBYONPAGQPT-UHFFFAOYSA-N
XLogP4.35
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 137470023
N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine
CID 158609715
(2,5-dioxopyrrolidin-1-yl) 4-[4-[2-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]ethoxy]phenyl]but-3-ynoate
CID 137379665
N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine
CID 155096500
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one
CID 159694548
3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide
CID 137469993
N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-2-(5-fluoro-3-pyridinyl)-N-methylquinazolin-4-amine
CID 142524896
2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71273500
N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71274687
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133288141
3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile
CID 133344856

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine (CID 137469978) is 8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine is CN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is BXGMBYONPAGQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-27(13-14-28-17-8-3-2-4-9-17)22-18-10-5-11-19(23)20(18)25-21(26-22)16-7-6-12-24-15-16/h2-12,15H,13-14H2,1H3.
What are the key properties of 8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine?
8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 374.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 137469978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).