N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine

C22H22FN5O — CID 122644031

IUPACN-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine
SMILESCCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C22H22FN5O/c1-4-7-28(18-8-16(23)9-19(10-18)29-3)17-5-6-20-21(11-17)26-22(13-24-20)15-12-25-27(2)14-15/h5-6,8-14H,4,7H2,1-3H3
InChIKeyQFWNLQNVLQPINS-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.73
Rot. Bonds6

About N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine

N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine (PubChem CID 122644031) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine
PubChem CID122644031
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC NameN-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine
SMILESCCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C22H22FN5O/c1-4-7-28(18-8-16(23)9-19(10-18)29-3)17-5-6-20-21(11-17)26-22(13-24-20)15-12-25-27(2)14-15/h5-6,8-14H,4,7H2,1-3H3
InChIKeyQFWNLQNVLQPINS-UHFFFAOYSA-N
XLogP4.73
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine?
The IUPAC name of N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine (CID 122644031) is N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine.
What is the SMILES notation for N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine?
The canonical SMILES for N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine is CCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.
What is the InChIKey of N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine?
The InChIKey is QFWNLQNVLQPINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-4-7-28(18-8-16(23)9-19(10-18)29-3)17-5-6-20-21(11-17)26-22(13-24-20)15-12-25-27(2)14-15/h5-6,8-14H,4,7H2,1-3H3.
What are the key properties of N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine?
N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine has a molecular weight of 391.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine is sourced from PubChem (CID 122644031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).