2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine

C31H32F2N4O — CID 154667507

IUPAC2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine
SMILESCCCn1c2ccccc2c2nc3ccc(-c4ccc(F)c(F)c4)cc3c(NCCCN3CCOCC3)c21
InChIInChI=1S/C31H32F2N4O/c1-2-13-37-28-7-4-3-6-23(28)30-31(37)29(34-12-5-14-36-15-17-38-18-16-36)24-19-21(9-11-27(24)35-30)22-8-10-25(32)26(33)20-22/h3-4,6-11,19-20H,2,5,12-18H2,1H3,(H,34,35)
InChIKeyMFMITEBDVXERMT-UHFFFAOYSA-N
MW514.62 g/mol
LogP6.83
Rot. Bonds8

About 2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine

2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine (PubChem CID 154667507) has the molecular formula C31H32F2N4O and a molecular weight of 514.62 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine
PubChem CID154667507
Molecular FormulaC31H32F2N4O
Molecular Weight514.62 g/mol
Exact Mass514.25
IUPAC Name2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine
SMILESCCCn1c2ccccc2c2nc3ccc(-c4ccc(F)c(F)c4)cc3c(NCCCN3CCOCC3)c21
InChIInChI=1S/C31H32F2N4O/c1-2-13-37-28-7-4-3-6-23(28)30-31(37)29(34-12-5-14-36-15-17-38-18-16-36)24-19-21(9-11-27(24)35-30)22-8-10-25(32)26(33)20-22/h3-4,6-11,19-20H,2,5,12-18H2,1H3,(H,34,35)
InChIKeyMFMITEBDVXERMT-UHFFFAOYSA-N
XLogP6.83
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine (CID 154667507) is 2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine is CCCn1c2ccccc2c2nc3ccc(-c4ccc(F)c(F)c4)cc3c(NCCCN3CCOCC3)c21.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine?
The InChIKey is MFMITEBDVXERMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N4O/c1-2-13-37-28-7-4-3-6-23(28)30-31(37)29(34-12-5-14-36-15-17-38-18-16-36)24-19-21(9-11-27(24)35-30)22-8-10-25(32)26(33)20-22/h3-4,6-11,19-20H,2,5,12-18H2,1H3,(H,34,35).
What are the key properties of 2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine?
2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine has a molecular weight of 514.62 g/mol, XLogP of 6.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)-10-propylindolo[3,2-b]quinolin-11-amine is sourced from PubChem (CID 154667507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).