1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea

C20H18FN3O3 — CID 71610549

IUPAC1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea
SMILESCn1c(=O)ccc2c(NC(=O)N[C@@H]3CCOc4ccc(F)cc43)cccc21
InChIInChI=1S/C20H18FN3O3/c1-24-17-4-2-3-15(13(17)6-8-19(24)25)22-20(26)23-16-9-10-27-18-7-5-12(21)11-14(16)18/h2-8,11,16H,9-10H2,1H3,(H2,22,23,26)/t16-/m1/s1
InChIKeyDSECKRMJCNNOEI-MRXNPFEDSA-N
MW367.38 g/mol
LogP3.32
Rot. Bonds2

About 1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea

1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea (PubChem CID 71610549) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea.

Molecular Properties

Compound Name1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea
PubChem CID71610549
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea
SMILESCn1c(=O)ccc2c(NC(=O)N[C@@H]3CCOc4ccc(F)cc43)cccc21
InChIInChI=1S/C20H18FN3O3/c1-24-17-4-2-3-15(13(17)6-8-19(24)25)22-20(26)23-16-9-10-27-18-7-5-12(21)11-14(16)18/h2-8,11,16H,9-10H2,1H3,(H2,22,23,26)/t16-/m1/s1
InChIKeyDSECKRMJCNNOEI-MRXNPFEDSA-N
XLogP3.32
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-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)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea?
The IUPAC name of 1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea (CID 71610549) is 1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea.
What is the SMILES notation for 1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea?
The canonical SMILES for 1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea is Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CCOc4ccc(F)cc43)cccc21.
What is the InChIKey of 1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea?
The InChIKey is DSECKRMJCNNOEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-24-17-4-2-3-15(13(17)6-8-19(24)25)22-20(26)23-16-9-10-27-18-7-5-12(21)11-14(16)18/h2-8,11,16H,9-10H2,1H3,(H2,22,23,26)/t16-/m1/s1.
What are the key properties of 1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea?
1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea has a molecular weight of 367.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-2-oxoquinolin-5-yl)urea is sourced from PubChem (CID 71610549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).