1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea

C25H25N5O2 — CID 11669102

IUPAC1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
SMILESCOc1ccc2c(c1)C(NC(=O)Nc1cccc3[nH]ncc13)CCN2Cc1ccccc1
InChIInChI=1S/C25H25N5O2/c1-32-18-10-11-24-19(14-18)22(12-13-30(24)16-17-6-3-2-4-7-17)28-25(31)27-21-8-5-9-23-20(21)15-26-29-23/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,29)(H2,27,28,31)
InChIKeyAYMSYYHWAONOKI-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.84
Rot. Bonds5

About 1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea

1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 11669102) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
PubChem CID11669102
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
SMILESCOc1ccc2c(c1)C(NC(=O)Nc1cccc3[nH]ncc13)CCN2Cc1ccccc1
InChIInChI=1S/C25H25N5O2/c1-32-18-10-11-24-19(14-18)22(12-13-30(24)16-17-6-3-2-4-7-17)28-25(31)27-21-8-5-9-23-20(21)15-26-29-23/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,29)(H2,27,28,31)
InChIKeyAYMSYYHWAONOKI-UHFFFAOYSA-N
XLogP4.84
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea with MolForge

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Related Compounds

3-1H-indazol-4-yl-1-{[4-(trifluoromethoxy)phenyl]methyl}urea
CID 11382514
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68517263
1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 11290223
1-(8-cyclohexylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11516653
1-(1H-indazol-4-yl)-3-(8-(trifluoromethyl)chroman-4-yl)urea
CID 11603236
1-(chroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11638123
1-(7-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11646277
1-(8-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11653471
1-(1H-indazol-4-yl)-3-(8-(trifluoromethoxy)chroman-4-yl)urea
CID 11668297
1-(1H-indazol-4-yl)-3-(8-morpholinochroman-4-yl)urea
CID 11696849
1-(1-(cyclohexylmethyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11711740
1-(1H-indazol-4-yl)-3-(8-(piperidin-1-yl)chroman-4-yl)urea
CID 11718098

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea (CID 11669102) is 1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea is COc1ccc2c(c1)C(NC(=O)Nc1cccc3[nH]ncc13)CCN2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is AYMSYYHWAONOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-32-18-10-11-24-19(14-18)22(12-13-30(24)16-17-6-3-2-4-7-17)28-25(31)27-21-8-5-9-23-20(21)15-26-29-23/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,29)(H2,27,28,31).
What are the key properties of 1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 427.51 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11669102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).