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

C25H31N5O2 — CID 11711740

IUPAC1-[1-(cyclohexylmethyl)-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/C25H31N5O2/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/h5,8-11,14-15,17,22H,2-4,6-7,12-13,16H2,1H3,(H,26,29)(H2,27,28,31)
InChIKeyXFXAXIXVJKIEKT-UHFFFAOYSA-N
MW433.56 g/mol
LogP5.22
Rot. Bonds5

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

1-[1-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-quinolin-4-yl]-3-(1H-indazol-4-yl)urea (PubChem CID 11711740) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-quinolin-4-yl]-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-quinolin-4-yl]-3-(1H-indazol-4-yl)urea
PubChem CID11711740
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[1-(cyclohexylmethyl)-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/C25H31N5O2/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/h5,8-11,14-15,17,22H,2-4,6-7,12-13,16H2,1H3,(H,26,29)(H2,27,28,31)
InChIKeyXFXAXIXVJKIEKT-UHFFFAOYSA-N
XLogP5.22
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.22
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-(cyclohexylmethyl)-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-(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-(1-benzyl-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11669102
1-(1H-indazol-4-yl)-3-(8-morpholinochroman-4-yl)urea
CID 11696849
1-(1H-indazol-4-yl)-3-(8-(piperidin-1-yl)chroman-4-yl)urea
CID 11718098
1-[6-(4-Benzyl-piperidin-1-ylmethyl)-benzo[1,3]dioxol-5-yl]-3-(1H-indazol-6-yl)-urea
CID 23497297

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-quinolin-4-yl]-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-[1-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-quinolin-4-yl]-3-(1H-indazol-4-yl)urea (CID 11711740) is 1-[1-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-quinolin-4-yl]-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-quinolin-4-yl]-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-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-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-quinolin-4-yl]-3-(1H-indazol-4-yl)urea?
The InChIKey is XFXAXIXVJKIEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/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/h5,8-11,14-15,17,22H,2-4,6-7,12-13,16H2,1H3,(H,26,29)(H2,27,28,31).
What are the key properties of 1-[1-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-quinolin-4-yl]-3-(1H-indazol-4-yl)urea?
1-[1-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-quinolin-4-yl]-3-(1H-indazol-4-yl)urea has a molecular weight of 433.56 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-quinolin-4-yl]-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11711740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).