1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid

C19H23FN4O3 — CID 66776778

IUPAC1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid
SMILESCc1c(F)ccc2cc(C(C)NC(=O)O)c(N3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C19H23FN4O3/c1-10-15(20)4-3-13-9-14(11(2)22-19(26)27)18(23-16(10)13)24-7-5-12(6-8-24)17(21)25/h3-4,9,11-12,22H,5-8H2,1-2H3,(H2,21,25)(H,26,27)
InChIKeyLFQDXTKPTWZRCG-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid

1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid (PubChem CID 66776778) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid
PubChem CID66776778
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid
SMILESCc1c(F)ccc2cc(C(C)NC(=O)O)c(N3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C19H23FN4O3/c1-10-15(20)4-3-13-9-14(11(2)22-19(26)27)18(23-16(10)13)24-7-5-12(6-8-24)17(21)25/h3-4,9,11-12,22H,5-8H2,1-2H3,(H2,21,25)(H,26,27)
InChIKeyLFQDXTKPTWZRCG-UHFFFAOYSA-N
XLogP2.71
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid?
The IUPAC name of 1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid (CID 66776778) is 1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid?
The canonical SMILES for 1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid is Cc1c(F)ccc2cc(C(C)NC(=O)O)c(N3CCC(C(N)=O)CC3)nc12.
What is the InChIKey of 1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid?
The InChIKey is LFQDXTKPTWZRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-10-15(20)4-3-13-9-14(11(2)22-19(26)27)18(23-16(10)13)24-7-5-12(6-8-24)17(21)25/h3-4,9,11-12,22H,5-8H2,1-2H3,(H2,21,25)(H,26,27).
What are the key properties of 1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid?
1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid has a molecular weight of 374.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid is sourced from PubChem (CID 66776778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).