1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea

C26H27N5O — CID 11626031

IUPAC1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea
SMILESO=C(NCC1CCc2ccccc2N1CCc1ccccc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C26H27N5O/c32-26(29-23-10-6-11-24-22(23)18-28-30-24)27-17-21-14-13-20-9-4-5-12-25(20)31(21)16-15-19-7-2-1-3-8-19/h1-12,18,21H,13-17H2,(H,28,30)(H2,27,29,32)
InChIKeyYUYRDRHVSPICBY-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.75
Rot. Bonds6

About 1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea

1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea (PubChem CID 11626031) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea
PubChem CID11626031
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea
SMILESO=C(NCC1CCc2ccccc2N1CCc1ccccc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C26H27N5O/c32-26(29-23-10-6-11-24-22(23)18-28-30-24)27-17-21-14-13-20-9-4-5-12-25(20)31(21)16-15-19-7-2-1-3-8-19/h1-12,18,21H,13-17H2,(H,28,30)(H2,27,29,32)
InChIKeyYUYRDRHVSPICBY-UHFFFAOYSA-N
XLogP4.75
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea with MolForge

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Related Compounds

Ko-947
CID 136653617
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
A-795614
CID 11451659
1-{[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16748249
1-{[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749350

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea (CID 11626031) is 1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea is O=C(NCC1CCc2ccccc2N1CCc1ccccc1)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea?
The InChIKey is YUYRDRHVSPICBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c32-26(29-23-10-6-11-24-22(23)18-28-30-24)27-17-21-14-13-20-9-4-5-12-25(20)31(21)16-15-19-7-2-1-3-8-19/h1-12,18,21H,13-17H2,(H,28,30)(H2,27,29,32).
What are the key properties of 1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea?
1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea has a molecular weight of 425.54 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]urea is sourced from PubChem (CID 11626031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).