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

C21H23N3O2 — CID 71536225

IUPACN-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
SMILESCCC(=O)NC1CCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21
InChIInChI=1S/C21H23N3O2/c1-3-20(25)23-18-7-6-15-16(11-22-12-17(15)18)13-4-8-19-14(10-13)5-9-21(26)24(19)2/h4,8,10-12,18H,3,5-7,9H2,1-2H3,(H,23,25)
InChIKeyRTZNXQJJCMMOPY-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.17
Rot. Bonds3

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

N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide (PubChem CID 71536225) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide.

Molecular Properties

Compound NameN-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
PubChem CID71536225
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
SMILESCCC(=O)NC1CCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21
InChIInChI=1S/C21H23N3O2/c1-3-20(25)23-18-7-6-15-16(11-22-12-17(15)18)13-4-8-19-14(10-13)5-9-21(26)24(19)2/h4,8,10-12,18H,3,5-7,9H2,1-2H3,(H,23,25)
InChIKeyRTZNXQJJCMMOPY-UHFFFAOYSA-N
XLogP3.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(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-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide (CID 71536225) is N-[4-(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-(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-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide is CCC(=O)NC1CCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21.
What is the InChIKey of N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
The InChIKey is RTZNXQJJCMMOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-20(25)23-18-7-6-15-16(11-22-12-17(15)18)13-4-8-19-14(10-13)5-9-21(26)24(19)2/h4,8,10-12,18H,3,5-7,9H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide is sourced from PubChem (CID 71536225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).