1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea

C23H26FN3O3 — CID 71611486

IUPAC1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea
SMILESCCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cccc(F)c2O1
InChIInChI=1S/C23H26FN3O3/c1-3-23(4-2)13-19(16-6-5-7-17(24)21(16)30-23)27-22(29)25-15-10-8-14-9-11-20(28)26-18(14)12-15/h5-8,10,12,19H,3-4,9,11,13H2,1-2H3,(H,26,28)(H2,25,27,29)/t19-/m1/s1
InChIKeyKLBHIGWSVUXRNZ-LJQANCHMSA-N
MW411.48 g/mol
LogP4.91
Rot. Bonds4

About 1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea

1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea (PubChem CID 71611486) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea.

Molecular Properties

Compound Name1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea
PubChem CID71611486
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea
SMILESCCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cccc(F)c2O1
InChIInChI=1S/C23H26FN3O3/c1-3-23(4-2)13-19(16-6-5-7-17(24)21(16)30-23)27-22(29)25-15-10-8-14-9-11-20(28)26-18(14)12-15/h5-8,10,12,19H,3-4,9,11,13H2,1-2H3,(H,26,28)(H2,25,27,29)/t19-/m1/s1
InChIKeyKLBHIGWSVUXRNZ-LJQANCHMSA-N
XLogP4.91
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea 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-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea?
The IUPAC name of 1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea (CID 71611486) is 1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea.
What is the SMILES notation for 1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea?
The canonical SMILES for 1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea is CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cccc(F)c2O1.
What is the InChIKey of 1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea?
The InChIKey is KLBHIGWSVUXRNZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-3-23(4-2)13-19(16-6-5-7-17(24)21(16)30-23)27-22(29)25-15-10-8-14-9-11-20(28)26-18(14)12-15/h5-8,10,12,19H,3-4,9,11,13H2,1-2H3,(H,26,28)(H2,25,27,29)/t19-/m1/s1.
What are the key properties of 1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea?
1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea has a molecular weight of 411.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea is sourced from PubChem (CID 71611486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).