4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine

C28H35FN4O — CID 155532654

IUPAC4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine
SMILESCCCN1CCN(Cc2cc(-c3ccc(CN4CCOCC4)cc3)nc3ccc(F)cc23)CC1
InChIInChI=1S/C28H35FN4O/c1-2-9-31-10-12-32(13-11-31)21-24-18-28(30-27-8-7-25(29)19-26(24)27)23-5-3-22(4-6-23)20-33-14-16-34-17-15-33/h3-8,18-19H,2,9-17,20-21H2,1H3
InChIKeyCZDFDAWAFAOVQV-UHFFFAOYSA-N
MW462.61 g/mol
LogP4.40
Rot. Bonds7

About 4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine

4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine (PubChem CID 155532654) has the molecular formula C28H35FN4O and a molecular weight of 462.61 g/mol. Its IUPAC name is 4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine
PubChem CID155532654
Molecular FormulaC28H35FN4O
Molecular Weight462.61 g/mol
Exact Mass462.28
IUPAC Name4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine
SMILESCCCN1CCN(Cc2cc(-c3ccc(CN4CCOCC4)cc3)nc3ccc(F)cc23)CC1
InChIInChI=1S/C28H35FN4O/c1-2-9-31-10-12-32(13-11-31)21-24-18-28(30-27-8-7-25(29)19-26(24)27)23-5-3-22(4-6-23)20-33-14-16-34-17-15-33/h3-8,18-19H,2,9-17,20-21H2,1H3
InChIKeyCZDFDAWAFAOVQV-UHFFFAOYSA-N
XLogP4.40
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine with MolForge

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Related Compounds

6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 155549517
6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide
CID 155559458
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile
CID 160642239
2-[4-[(1,1-dimethyl-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoro-N-(2-thiomorpholin-4-ylethyl)quinoline-4-carboxamide
CID 138554835
4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile
CID 171492279
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
4-[2-[4-[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526514
4-[2-[4-[[4-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526500
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
4-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline
CID 10861098

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine (CID 155532654) is 4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine is CCCN1CCN(Cc2cc(-c3ccc(CN4CCOCC4)cc3)nc3ccc(F)cc23)CC1.
What is the InChIKey of 4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine?
The InChIKey is CZDFDAWAFAOVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O/c1-2-9-31-10-12-32(13-11-31)21-24-18-28(30-27-8-7-25(29)19-26(24)27)23-5-3-22(4-6-23)20-33-14-16-34-17-15-33/h3-8,18-19H,2,9-17,20-21H2,1H3.
What are the key properties of 4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine?
4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine has a molecular weight of 462.61 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 155532654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).