[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol

C20H23F6N3O — CID 71592220

IUPAC[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol
SMILESCC(CNC1CCCC1)NC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C20H23F6N3O/c1-11(10-27-12-5-2-3-6-12)28-18(30)14-9-16(20(24,25)26)29-17-13(14)7-4-8-15(17)19(21,22)23/h4,7-9,11-12,18,27-28,30H,2-3,5-6,10H2,1H3
InChIKeyMJLATRLWQJOODH-UHFFFAOYSA-N
MW435.41 g/mol
LogP4.77
Rot. Bonds6

About [2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol

[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol (PubChem CID 71592220) has the molecular formula C20H23F6N3O and a molecular weight of 435.41 g/mol. Its IUPAC name is [2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol.

Molecular Properties

Compound Name[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol
PubChem CID71592220
Molecular FormulaC20H23F6N3O
Molecular Weight435.41 g/mol
Exact Mass435.17
IUPAC Name[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol
SMILESCC(CNC1CCCC1)NC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C20H23F6N3O/c1-11(10-27-12-5-2-3-6-12)28-18(30)14-9-16(20(24,25)26)29-17-13(14)7-4-8-15(17)19(21,22)23/h4,7-9,11-12,18,27-28,30H,2-3,5-6,10H2,1H3
InChIKeyMJLATRLWQJOODH-UHFFFAOYSA-N
XLogP4.77
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[1-(cyclopentylamino)propan-2-ylamino]ethanol
CID 54577876
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[2-(cyclopropylamino)ethylamino]methanol
CID 71592319
[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
CID 59451320
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(1R,2E)-2-hydroxyiminocyclopentyl]methanol
CID 44519169
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-1-ium-2-yl]methanol
CID 24848226
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol
CID 59084682
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrazine
CID 87721844
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[1-(tert-butylamino)propan-2-ylamino]ethanol
CID 54577873
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyrrolidin-1-ylethanol
CID 23004032
CID 46897345
CID 46897345
2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)propan-2-ylamino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 56668708

Frequently Asked Questions

What is the IUPAC name of [2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol?
The IUPAC name of [2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol (CID 71592220) is [2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol.
What is the SMILES notation for [2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol?
The canonical SMILES for [2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol is CC(CNC1CCCC1)NC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of [2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol?
The InChIKey is MJLATRLWQJOODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F6N3O/c1-11(10-27-12-5-2-3-6-12)28-18(30)14-9-16(20(24,25)26)29-17-13(14)7-4-8-15(17)19(21,22)23/h4,7-9,11-12,18,27-28,30H,2-3,5-6,10H2,1H3.
What are the key properties of [2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol?
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol has a molecular weight of 435.41 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol is sourced from PubChem (CID 71592220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).