1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea

C26H30FN3O2 — CID 25263542

IUPAC1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
SMILESCCCC1(CCC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cccc(F)c2O1
InChIInChI=1S/C26H30FN3O2/c1-4-12-26(13-5-2)15-23(19-9-7-10-21(27)24(19)32-26)30-25(31)29-22-11-6-8-18-16-28-17(3)14-20(18)22/h6-11,14,16,23H,4-5,12-13,15H2,1-3H3,(H2,29,30,31)/t23-/m1/s1
InChIKeyOJPHAHBZLDUZLU-HSZRJFAPSA-N
MW435.54 g/mol
LogP6.67
Rot. Bonds6

About 1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea

1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea (PubChem CID 25263542) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea.

Molecular Properties

Compound Name1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
PubChem CID25263542
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
SMILESCCCC1(CCC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cccc(F)c2O1
InChIInChI=1S/C26H30FN3O2/c1-4-12-26(13-5-2)15-23(19-9-7-10-21(27)24(19)32-26)30-25(31)29-22-11-6-8-18-16-28-17(3)14-20(18)22/h6-11,14,16,23H,4-5,12-13,15H2,1-3H3,(H2,29,30,31)/t23-/m1/s1
InChIKeyOJPHAHBZLDUZLU-HSZRJFAPSA-N
XLogP6.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-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

Related Compounds

1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
CID 25265637
A-1165442
CID 46191567
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-quinolin-6-yloxyphenyl)urea
CID 134294499
Grc-6211
CID 138393987
(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-2-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 44353994
1-(1-Benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
CID 9867739
1-Isoquinolin-5-yl-3-[(4-methoxyphenyl)methyl]urea
CID 10425327
1-Isoquinolin-5-yl-3-(4-trifluoromethoxy-benzyl)-urea
CID 10451213
1-(3-Ethyl-4-methoxyphenyl)-3-quinolin-4-ylurea;hydrochloride
CID 18475498
1-[(4R)-6-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
CID 25263541
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-ylurea
CID 25264621
1-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-isoquinolin-5-ylurea
CID 25264623

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea?
The IUPAC name of 1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea (CID 25263542) is 1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea.
What is the SMILES notation for 1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea?
The canonical SMILES for 1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea is CCCC1(CCC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cccc(F)c2O1.
What is the InChIKey of 1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea?
The InChIKey is OJPHAHBZLDUZLU-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-4-12-26(13-5-2)15-23(19-9-7-10-21(27)24(19)32-26)30-25(31)29-22-11-6-8-18-16-28-17(3)14-20(18)22/h6-11,14,16,23H,4-5,12-13,15H2,1-3H3,(H2,29,30,31)/t23-/m1/s1.
What are the key properties of 1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea?
1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea has a molecular weight of 435.54 g/mol, XLogP of 6.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea is sourced from PubChem (CID 25263542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).