1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea

C24H23N5O — CID 11553027

IUPAC1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H23N5O/c30-24(26-20-10-6-11-22-19(20)15-25-28-22)27-21-13-14-29(16-17-7-2-1-3-8-17)23-12-5-4-9-18(21)23/h1-12,15,21H,13-14,16H2,(H,25,28)(H2,26,27,30)
InChIKeyCVNOORHKMWKCEI-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.84
Rot. Bonds4

About 1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea

1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 11553027) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
PubChem CID11553027
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H23N5O/c30-24(26-20-10-6-11-22-19(20)15-25-28-22)27-21-13-14-29(16-17-7-2-1-3-8-17)23-12-5-4-9-18(21)23/h1-12,15,21H,13-14,16H2,(H,25,28)(H2,26,27,30)
InChIKeyCVNOORHKMWKCEI-UHFFFAOYSA-N
XLogP4.84
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea (CID 11553027) is 1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea is O=C(Nc1cccc2[nH]ncc12)NC1CCN(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is CVNOORHKMWKCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(26-20-10-6-11-22-19(20)15-25-28-22)27-21-13-14-29(16-17-7-2-1-3-8-17)23-12-5-4-9-18(21)23/h1-12,15,21H,13-14,16H2,(H,25,28)(H2,26,27,30).
What are the key properties of 1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 397.48 g/mol, XLogP of 4.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11553027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).