8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one

C23H18F2N4O2 — CID 154667236

IUPAC8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(-c3ccn4c(=O)ccnc4c3)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C23H18F2N4O2/c24-23(25)6-10-28(11-7-23)22(31)17-12-16-2-1-3-18(21(16)27-14-17)15-5-9-29-19(13-15)26-8-4-20(29)30/h1-5,8-9,12-14H,6-7,10-11H2
InChIKeyXNKRVOWVHNARBV-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.78
Rot. Bonds2

About 8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one

8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 154667236) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID154667236
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(-c3ccn4c(=O)ccnc4c3)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C23H18F2N4O2/c24-23(25)6-10-28(11-7-23)22(31)17-12-16-2-1-3-18(21(16)27-14-17)15-5-9-29-19(13-15)26-8-4-20(29)30/h1-5,8-9,12-14H,6-7,10-11H2
InChIKeyXNKRVOWVHNARBV-UHFFFAOYSA-N
XLogP3.78
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one (CID 154667236) is 8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2c(-c3ccn4c(=O)ccnc4c3)cccc2c1)N1CCC(F)(F)CC1.
What is the InChIKey of 8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XNKRVOWVHNARBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c24-23(25)6-10-28(11-7-23)22(31)17-12-16-2-1-3-18(21(16)27-14-17)15-5-9-29-19(13-15)26-8-4-20(29)30/h1-5,8-9,12-14H,6-7,10-11H2.
What are the key properties of 8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one?
8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 420.42 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 154667236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).