9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione

C18H15FN4O2 — CID 16725906

IUPAC9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
SMILESNCCCNc1cc2c(cc1F)C(=O)c1nc3ccccc3c(=O)n1-2
InChIInChI=1S/C18H15FN4O2/c19-12-8-11-15(9-14(12)21-7-3-6-20)23-17(16(11)24)22-13-5-2-1-4-10(13)18(23)25/h1-2,4-5,8-9,21H,3,6-7,20H2
InChIKeyJOCLSTGUBFWIHC-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.83
Rot. Bonds4

About 9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione

9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione (PubChem CID 16725906) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
PubChem CID16725906
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
SMILESNCCCNc1cc2c(cc1F)C(=O)c1nc3ccccc3c(=O)n1-2
InChIInChI=1S/C18H15FN4O2/c19-12-8-11-15(9-14(12)21-7-3-6-20)23-17(16(11)24)22-13-5-2-1-4-10(13)18(23)25/h1-2,4-5,8-9,21H,3,6-7,20H2
InChIKeyJOCLSTGUBFWIHC-UHFFFAOYSA-N
XLogP1.83
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione (CID 16725906) is 9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione is NCCCNc1cc2c(cc1F)C(=O)c1nc3ccccc3c(=O)n1-2.
What is the InChIKey of 9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is JOCLSTGUBFWIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-12-8-11-15(9-14(12)21-7-3-6-20)23-17(16(11)24)22-13-5-2-1-4-10(13)18(23)25/h1-2,4-5,8-9,21H,3,6-7,20H2.
What are the key properties of 9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione?
9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 338.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-aminopropylamino)-8-fluoroindolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 16725906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).