[4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea

C23H20N4O2 — CID 68714595

IUPAC[4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea
SMILESNC(=O)Nc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)C(=O)CCC3)cc1
InChIInChI=1S/C23H20N4O2/c24-23(29)25-14-10-8-13(9-11-14)12-18-22-20(15-4-1-2-5-16(15)27-22)21-17(26-18)6-3-7-19(21)28/h1-2,4-5,8-11,27H,3,6-7,12H2,(H3,24,25,29)
InChIKeyFJMVDRVTQZQWDU-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.32
Rot. Bonds3

About [4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea

[4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea (PubChem CID 68714595) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is [4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name[4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea
PubChem CID68714595
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name[4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea
SMILESNC(=O)Nc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)C(=O)CCC3)cc1
InChIInChI=1S/C23H20N4O2/c24-23(29)25-14-10-8-13(9-11-14)12-18-22-20(15-4-1-2-5-16(15)27-22)21-17(26-18)6-3-7-19(21)28/h1-2,4-5,8-11,27H,3,6-7,12H2,(H3,24,25,29)
InChIKeyFJMVDRVTQZQWDU-UHFFFAOYSA-N
XLogP4.32
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea?
The IUPAC name of [4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea (CID 68714595) is [4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea.
What is the SMILES notation for [4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea?
The canonical SMILES for [4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea is NC(=O)Nc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)C(=O)CCC3)cc1.
What is the InChIKey of [4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea?
The InChIKey is FJMVDRVTQZQWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c24-23(29)25-14-10-8-13(9-11-14)12-18-22-20(15-4-1-2-5-16(15)27-22)21-17(26-18)6-3-7-19(21)28/h1-2,4-5,8-11,27H,3,6-7,12H2,(H3,24,25,29).
What are the key properties of [4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea?
[4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea has a molecular weight of 384.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea is sourced from PubChem (CID 68714595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).