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

C26H25N5O — CID 90670056

IUPAC1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea
SMILESCn1c2ccccc2c2c(NCCCNC(=O)Nc3ccccc3)nc3ccccc3c21
InChIInChI=1S/C26H25N5O/c1-31-22-15-8-6-13-20(22)23-24(31)19-12-5-7-14-21(19)30-25(23)27-16-9-17-28-26(32)29-18-10-3-2-4-11-18/h2-8,10-15H,9,16-17H2,1H3,(H,27,30)(H2,28,29,32)
InChIKeyKUPDPICLGKYTFS-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.50
Rot. Bonds6

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

1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea (PubChem CID 90670056) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea
PubChem CID90670056
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea
SMILESCn1c2ccccc2c2c(NCCCNC(=O)Nc3ccccc3)nc3ccccc3c21
InChIInChI=1S/C26H25N5O/c1-31-22-15-8-6-13-20(22)23-24(31)19-12-5-7-14-21(19)30-25(23)27-16-9-17-28-26(32)29-18-10-3-2-4-11-18/h2-8,10-15H,9,16-17H2,1H3,(H,27,30)(H2,28,29,32)
InChIKeyKUPDPICLGKYTFS-UHFFFAOYSA-N
XLogP5.50
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.50
H-Bond Donors ≤ 53
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-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea?
The IUPAC name of 1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea (CID 90670056) is 1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea is Cn1c2ccccc2c2c(NCCCNC(=O)Nc3ccccc3)nc3ccccc3c21.
What is the InChIKey of 1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea?
The InChIKey is KUPDPICLGKYTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-31-22-15-8-6-13-20(22)23-24(31)19-12-5-7-14-21(19)30-25(23)27-16-9-17-28-26(32)29-18-10-3-2-4-11-18/h2-8,10-15H,9,16-17H2,1H3,(H,27,30)(H2,28,29,32).
What are the key properties of 1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea?
1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea has a molecular weight of 423.52 g/mol, XLogP of 5.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(11-methylindolo[3,2-c]quinolin-6-yl)amino]propyl]-3-phenylurea is sourced from PubChem (CID 90670056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).