1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea

C19H20N4O — CID 70886973

IUPAC1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
SMILESO=C(NCC1CCc2ccccc2N1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C19H20N4O/c24-19(23-18-7-3-6-17-15(18)10-11-20-17)21-12-14-9-8-13-4-1-2-5-16(13)22-14/h1-7,10-11,14,20,22H,8-9,12H2,(H2,21,23,24)
InChIKeyZDEPWEMZZLBUKW-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.72
Rot. Bonds3

About 1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea

1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea (PubChem CID 70886973) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
PubChem CID70886973
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
SMILESO=C(NCC1CCc2ccccc2N1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C19H20N4O/c24-19(23-18-7-3-6-17-15(18)10-11-20-17)21-12-14-9-8-13-4-1-2-5-16(13)22-14/h1-7,10-11,14,20,22H,8-9,12H2,(H2,21,23,24)
InChIKeyZDEPWEMZZLBUKW-UHFFFAOYSA-N
XLogP3.72
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
The IUPAC name of 1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea (CID 70886973) is 1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea.
What is the SMILES notation for 1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
The canonical SMILES for 1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea is O=C(NCC1CCc2ccccc2N1)Nc1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
The InChIKey is ZDEPWEMZZLBUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(23-18-7-3-6-17-15(18)10-11-20-17)21-12-14-9-8-13-4-1-2-5-16(13)22-14/h1-7,10-11,14,20,22H,8-9,12H2,(H2,21,23,24).
What are the key properties of 1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea has a molecular weight of 320.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea is sourced from PubChem (CID 70886973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).