(1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol

C19H24F2N2O — CID 146376657

IUPAC(1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol
SMILESC[C@@H]1C[C@H](CCc2ccc3ccc(NCC(F)F)nc3c2)C[C@H]1O
InChIInChI=1S/C19H24F2N2O/c1-12-8-14(10-17(12)24)3-2-13-4-5-15-6-7-19(22-11-18(20)21)23-16(15)9-13/h4-7,9,12,14,17-18,24H,2-3,8,10-11H2,1H3,(H,22,23)/t12-,14+,17-/m1/s1
InChIKeyOHHWXDILKQNHJP-HACGYAERSA-N
MW334.41 g/mol
LogP4.25
Rot. Bonds6

About (1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol

(1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol (PubChem CID 146376657) has the molecular formula C19H24F2N2O and a molecular weight of 334.41 g/mol. Its IUPAC name is (1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol
PubChem CID146376657
Molecular FormulaC19H24F2N2O
Molecular Weight334.41 g/mol
Exact Mass334.19
IUPAC Name(1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol
SMILESC[C@@H]1C[C@H](CCc2ccc3ccc(NCC(F)F)nc3c2)C[C@H]1O
InChIInChI=1S/C19H24F2N2O/c1-12-8-14(10-17(12)24)3-2-13-4-5-15-6-7-19(22-11-18(20)21)23-16(15)9-13/h4-7,9,12,14,17-18,24H,2-3,8,10-11H2,1H3,(H,22,23)/t12-,14+,17-/m1/s1
InChIKeyOHHWXDILKQNHJP-HACGYAERSA-N
XLogP4.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol?
The IUPAC name of (1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol (CID 146376657) is (1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol?
The canonical SMILES for (1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol is C[C@@H]1C[C@H](CCc2ccc3ccc(NCC(F)F)nc3c2)C[C@H]1O.
What is the InChIKey of (1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol?
The InChIKey is OHHWXDILKQNHJP-HACGYAERSA-N. The full InChI is InChI=1S/C19H24F2N2O/c1-12-8-14(10-17(12)24)3-2-13-4-5-15-6-7-19(22-11-18(20)21)23-16(15)9-13/h4-7,9,12,14,17-18,24H,2-3,8,10-11H2,1H3,(H,22,23)/t12-,14+,17-/m1/s1.
What are the key properties of (1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol?
(1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol has a molecular weight of 334.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-[2-[2-(2,2-difluoroethylamino)quinolin-7-yl]ethyl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 146376657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).