(3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide

C20H30N4O3 — CID 99802618

IUPAC(3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide
SMILESCCN(CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3COC)C1
InChIInChI=1S/C20H30N4O3/c1-4-22(5-2)17-10-11-23(13-17)20(26)21-16-7-8-18-15(12-16)6-9-19(25)24(18)14-27-3/h7-8,12,17H,4-6,9-11,13-14H2,1-3H3,(H,21,26)/t17-/m0/s1
InChIKeyQUIGIWDHEAYASO-KRWDZBQOSA-N
MW374.49 g/mol
LogP2.52
Rot. Bonds6

About (3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide

(3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide (PubChem CID 99802618) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide
PubChem CID99802618
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide
SMILESCCN(CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3COC)C1
InChIInChI=1S/C20H30N4O3/c1-4-22(5-2)17-10-11-23(13-17)20(26)21-16-7-8-18-15(12-16)6-9-19(25)24(18)14-27-3/h7-8,12,17H,4-6,9-11,13-14H2,1-3H3,(H,21,26)/t17-/m0/s1
InChIKeyQUIGIWDHEAYASO-KRWDZBQOSA-N
XLogP2.52
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide 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 (3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide (CID 99802618) is (3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide is CCN(CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3COC)C1.
What is the InChIKey of (3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide?
The InChIKey is QUIGIWDHEAYASO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-4-22(5-2)17-10-11-23(13-17)20(26)21-16-7-8-18-15(12-16)6-9-19(25)24(18)14-27-3/h7-8,12,17H,4-6,9-11,13-14H2,1-3H3,(H,21,26)/t17-/m0/s1.
What are the key properties of (3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide?
(3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(diethylamino)-N-[1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-6-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99802618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).