N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine

C19H20N4O — CID 90670034

IUPACN'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
SMILESCOc1ccc2nc(NCCCN)c3c4ccccc4[nH]c3c2c1
InChIInChI=1S/C19H20N4O/c1-24-12-7-8-16-14(11-12)18-17(19(23-16)21-10-4-9-20)13-5-2-3-6-15(13)22-18/h2-3,5-8,11,22H,4,9-10,20H2,1H3,(H,21,23)
InChIKeyVXMDSWYXRLZMRX-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.64
Rot. Bonds5

About N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine

N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine (PubChem CID 90670034) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
PubChem CID90670034
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
SMILESCOc1ccc2nc(NCCCN)c3c4ccccc4[nH]c3c2c1
InChIInChI=1S/C19H20N4O/c1-24-12-7-8-16-14(11-12)18-17(19(23-16)21-10-4-9-20)13-5-2-3-6-15(13)22-18/h2-3,5-8,11,22H,4,9-10,20H2,1H3,(H,21,23)
InChIKeyVXMDSWYXRLZMRX-UHFFFAOYSA-N
XLogP3.64
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.64
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 N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine (CID 90670034) is N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine is COc1ccc2nc(NCCCN)c3c4ccccc4[nH]c3c2c1.
What is the InChIKey of N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The InChIKey is VXMDSWYXRLZMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-12-7-8-16-14(11-12)18-17(19(23-16)21-10-4-9-20)13-5-2-3-6-15(13)22-18/h2-3,5-8,11,22H,4,9-10,20H2,1H3,(H,21,23).
What are the key properties of N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine has a molecular weight of 320.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 90670034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).