7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one

C25H30FN3O — CID 44528437

IUPAC7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one
SMILESCC(CNC1CCN(CCn2c(=O)ccc3ccc(F)cc32)CC1)c1ccccc1
InChIInChI=1S/C25H30FN3O/c1-19(20-5-3-2-4-6-20)18-27-23-11-13-28(14-12-23)15-16-29-24-17-22(26)9-7-21(24)8-10-25(29)30/h2-10,17,19,23,27H,11-16,18H2,1H3
InChIKeyGEVHPBWKLDIKTR-UHFFFAOYSA-N
MW407.53 g/mol
LogP4.00
Rot. Bonds7

About 7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one

7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one (PubChem CID 44528437) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one
PubChem CID44528437
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one
SMILESCC(CNC1CCN(CCn2c(=O)ccc3ccc(F)cc32)CC1)c1ccccc1
InChIInChI=1S/C25H30FN3O/c1-19(20-5-3-2-4-6-20)18-27-23-11-13-28(14-12-23)15-16-29-24-17-22(26)9-7-21(24)8-10-25(29)30/h2-10,17,19,23,27H,11-16,18H2,1H3
InChIKeyGEVHPBWKLDIKTR-UHFFFAOYSA-N
XLogP4.00
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one?
The IUPAC name of 7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one (CID 44528437) is 7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one.
What is the SMILES notation for 7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one?
The canonical SMILES for 7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one is CC(CNC1CCN(CCn2c(=O)ccc3ccc(F)cc32)CC1)c1ccccc1.
What is the InChIKey of 7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one?
The InChIKey is GEVHPBWKLDIKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-19(20-5-3-2-4-6-20)18-27-23-11-13-28(14-12-23)15-16-29-24-17-22(26)9-7-21(24)8-10-25(29)30/h2-10,17,19,23,27H,11-16,18H2,1H3.
What are the key properties of 7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one?
7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one has a molecular weight of 407.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-[4-(2-phenylpropylamino)piperidin-1-yl]ethyl]quinolin-2-one is sourced from PubChem (CID 44528437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).