1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea

C26H25N5O2 — CID 90676204

IUPAC1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea
SMILESCOc1ccc2nc(NCCCNC(=O)Nc3ccccc3)c3c4ccccc4[nH]c3c2c1
InChIInChI=1S/C26H25N5O2/c1-33-18-12-13-22-20(16-18)24-23(19-10-5-6-11-21(19)30-24)25(31-22)27-14-7-15-28-26(32)29-17-8-3-2-4-9-17/h2-6,8-13,16,30H,7,14-15H2,1H3,(H,27,31)(H2,28,29,32)
InChIKeyYZXGGOGIYBCULD-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.50
Rot. Bonds7

About 1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea

1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea (PubChem CID 90676204) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea
PubChem CID90676204
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea
SMILESCOc1ccc2nc(NCCCNC(=O)Nc3ccccc3)c3c4ccccc4[nH]c3c2c1
InChIInChI=1S/C26H25N5O2/c1-33-18-12-13-22-20(16-18)24-23(19-10-5-6-11-21(19)30-24)25(31-22)27-14-7-15-28-26(32)29-17-8-3-2-4-9-17/h2-6,8-13,16,30H,7,14-15H2,1H3,(H,27,31)(H2,28,29,32)
InChIKeyYZXGGOGIYBCULD-UHFFFAOYSA-N
XLogP5.50
TPSA91.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea?
The IUPAC name of 1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea (CID 90676204) is 1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea is COc1ccc2nc(NCCCNC(=O)Nc3ccccc3)c3c4ccccc4[nH]c3c2c1.
What is the InChIKey of 1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea?
The InChIKey is YZXGGOGIYBCULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-33-18-12-13-22-20(16-18)24-23(19-10-5-6-11-21(19)30-24)25(31-22)27-14-7-15-28-26(32)29-17-8-3-2-4-9-17/h2-6,8-13,16,30H,7,14-15H2,1H3,(H,27,31)(H2,28,29,32).
What are the key properties of 1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea?
1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea has a molecular weight of 439.52 g/mol, XLogP of 5.50, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea is sourced from PubChem (CID 90676204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).