6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one

C26H28FN5O2 — CID 57394797

IUPAC6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2cnc(Oc3ccc(F)c4cccnc34)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C26H28FN5O2/c1-16(2)31-11-5-6-18(14-31)15-32-17(3)30-22-13-29-24(12-20(22)26(32)33)34-23-9-8-21(27)19-7-4-10-28-25(19)23/h4,7-10,12-13,16,18H,5-6,11,14-15H2,1-3H3/t18-/m0/s1
InChIKeyCNHLUIVXXBPRHX-SFHVURJKSA-N
MW461.54 g/mol
LogP4.70
Rot. Bonds5

About 6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one

6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 57394797) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID57394797
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2cnc(Oc3ccc(F)c4cccnc34)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C26H28FN5O2/c1-16(2)31-11-5-6-18(14-31)15-32-17(3)30-22-13-29-24(12-20(22)26(32)33)34-23-9-8-21(27)19-7-4-10-28-25(19)23/h4,7-10,12-13,16,18H,5-6,11,14-15H2,1-3H3/t18-/m0/s1
InChIKeyCNHLUIVXXBPRHX-SFHVURJKSA-N
XLogP4.70
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-fluorophenoxy)-2-propan-2-yl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
CID 143174930
6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 57345597
6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143175087
2-[2-fluoro-4-(2-fluoroethoxy)phenyl]-6-[(5-fluoro-2-pyridinyl)oxy]-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 135352374
2-ethyl-6-(2-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143175024
2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-6-(3,4,5-trifluorophenyl)quinazolin-4-one
CID 143174829
6-(3-fluoro-4-phenylphenyl)-2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143174780
6-(3-methylphenoxy)-2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 11604467
6-(N-ethyl-4-fluoroanilino)-2-(2-methylphenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]quinazolin-4-one
CID 143175311
6-(4-aminophenyl)-2-propan-2-yl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 143175273
3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913825
3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904216

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (CID 57394797) is 6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is Cc1nc2cnc(Oc3ccc(F)c4cccnc34)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1.
What is the InChIKey of 6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CNHLUIVXXBPRHX-SFHVURJKSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-16(2)31-11-5-6-18(14-31)15-32-17(3)30-22-13-29-24(12-20(22)26(32)33)34-23-9-8-21(27)19-7-4-10-28-25(19)23/h4,7-10,12-13,16,18H,5-6,11,14-15H2,1-3H3/t18-/m0/s1.
What are the key properties of 6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 461.54 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoroquinolin-8-yl)oxy-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 57394797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).