N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide

C21H22FN3O2 — CID 71536765

IUPACN-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
SMILESCCC(=O)NC1CCc2c(-c3cc4c(cc3F)N(C)C(=O)CC4)cncc21
InChIInChI=1S/C21H22FN3O2/c1-3-20(26)24-18-6-5-13-15(10-23-11-16(13)18)14-8-12-4-7-21(27)25(2)19(12)9-17(14)22/h8-11,18H,3-7H2,1-2H3,(H,24,26)
InChIKeyRXJOFZNMHGDABT-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.31
Rot. Bonds3

About N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide

N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide (PubChem CID 71536765) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide.

Molecular Properties

Compound NameN-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
PubChem CID71536765
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
SMILESCCC(=O)NC1CCc2c(-c3cc4c(cc3F)N(C)C(=O)CC4)cncc21
InChIInChI=1S/C21H22FN3O2/c1-3-20(26)24-18-6-5-13-15(10-23-11-16(13)18)14-8-12-4-7-21(27)25(2)19(12)9-17(14)22/h8-11,18H,3-7H2,1-2H3,(H,24,26)
InChIKeyRXJOFZNMHGDABT-UHFFFAOYSA-N
XLogP3.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
The IUPAC name of N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide (CID 71536765) is N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide.
What is the SMILES notation for N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
The canonical SMILES for N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide is CCC(=O)NC1CCc2c(-c3cc4c(cc3F)N(C)C(=O)CC4)cncc21.
What is the InChIKey of N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
The InChIKey is RXJOFZNMHGDABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-3-20(26)24-18-6-5-13-15(10-23-11-16(13)18)14-8-12-4-7-21(27)25(2)19(12)9-17(14)22/h8-11,18H,3-7H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide has a molecular weight of 367.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide is sourced from PubChem (CID 71536765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).