2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline

C25H24FN5O — CID 24733435

IUPAC2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline
SMILESFc1ccc(OCCN2CCN(c3ccc4cccc(-c5cncnc5)c4n3)CC2)cc1
InChIInChI=1S/C25H24FN5O/c26-21-5-7-22(8-6-21)32-15-14-30-10-12-31(13-11-30)24-9-4-19-2-1-3-23(25(19)29-24)20-16-27-18-28-17-20/h1-9,16-18H,10-15H2
InChIKeyFAUSVEZGNJVXPL-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.03
Rot. Bonds6

About 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline

2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline (PubChem CID 24733435) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline
PubChem CID24733435
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline
SMILESFc1ccc(OCCN2CCN(c3ccc4cccc(-c5cncnc5)c4n3)CC2)cc1
InChIInChI=1S/C25H24FN5O/c26-21-5-7-22(8-6-21)32-15-14-30-10-12-31(13-11-30)24-9-4-19-2-1-3-23(25(19)29-24)20-16-27-18-28-17-20/h1-9,16-18H,10-15H2
InChIKeyFAUSVEZGNJVXPL-UHFFFAOYSA-N
XLogP4.03
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
Vuf5574
CID 4046493
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10316876
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
1-(4-(2-Fluorophenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3d)
CID 118796624
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,2-d][1,4]oxazine
CID 46900150
2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900451
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900455
4-amino-6-[[(1S)-1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 49872831

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline?
The IUPAC name of 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline (CID 24733435) is 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline.
What is the SMILES notation for 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline?
The canonical SMILES for 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline is Fc1ccc(OCCN2CCN(c3ccc4cccc(-c5cncnc5)c4n3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline?
The InChIKey is FAUSVEZGNJVXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c26-21-5-7-22(8-6-21)32-15-14-30-10-12-31(13-11-30)24-9-4-19-2-1-3-23(25(19)29-24)20-16-27-18-28-17-20/h1-9,16-18H,10-15H2.
What are the key properties of 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline?
2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline has a molecular weight of 429.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline is sourced from PubChem (CID 24733435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).