1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine

C23H28FN3O2 — CID 142171500

IUPAC1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine
SMILESC=C1c2ccccc2N=C(C(C)N(CCOC)CCOC)N1c1ccc(F)cc1
InChIInChI=1S/C23H28FN3O2/c1-17-21-7-5-6-8-22(21)25-23(27(17)20-11-9-19(24)10-12-20)18(2)26(13-15-28-3)14-16-29-4/h5-12,18H,1,13-16H2,2-4H3
InChIKeyANMYDJXUGOEHHF-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.33
Rot. Bonds9

About 1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine

1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine (PubChem CID 142171500) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine
PubChem CID142171500
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine
SMILESC=C1c2ccccc2N=C(C(C)N(CCOC)CCOC)N1c1ccc(F)cc1
InChIInChI=1S/C23H28FN3O2/c1-17-21-7-5-6-8-22(21)25-23(27(17)20-11-9-19(24)10-12-20)18(2)26(13-15-28-3)14-16-29-4/h5-12,18H,1,13-16H2,2-4H3
InChIKeyANMYDJXUGOEHHF-UHFFFAOYSA-N
XLogP4.33
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine?
The IUPAC name of 1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine (CID 142171500) is 1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine is C=C1c2ccccc2N=C(C(C)N(CCOC)CCOC)N1c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine?
The InChIKey is ANMYDJXUGOEHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17-21-7-5-6-8-22(21)25-23(27(17)20-11-9-19(24)10-12-20)18(2)26(13-15-28-3)14-16-29-4/h5-12,18H,1,13-16H2,2-4H3.
What are the key properties of 1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine?
1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine has a molecular weight of 397.49 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-4-methylidenequinazolin-2-yl]-N,N-bis(2-methoxyethyl)ethanamine is sourced from PubChem (CID 142171500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).