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

C18H17ClN4 — CID 90670036

IUPACN'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
SMILESNCCCNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12
InChIInChI=1S/C18H17ClN4/c19-11-6-7-15-13(10-11)17-16(18(23-15)21-9-3-8-20)12-4-1-2-5-14(12)22-17/h1-2,4-7,10,22H,3,8-9,20H2,(H,21,23)
InChIKeySUCJGUPMCXARGR-UHFFFAOYSA-N
MW324.82 g/mol
LogP4.28
Rot. Bonds4

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

N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine (PubChem CID 90670036) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
PubChem CID90670036
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC NameN'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
SMILESNCCCNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12
InChIInChI=1S/C18H17ClN4/c19-11-6-7-15-13(10-11)17-16(18(23-15)21-9-3-8-20)12-4-1-2-5-14(12)22-17/h1-2,4-7,10,22H,3,8-9,20H2,(H,21,23)
InChIKeySUCJGUPMCXARGR-UHFFFAOYSA-N
XLogP4.28
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine (CID 90670036) is N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine is NCCCNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12.
What is the InChIKey of N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The InChIKey is SUCJGUPMCXARGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c19-11-6-7-15-13(10-11)17-16(18(23-15)21-9-3-8-20)12-4-1-2-5-14(12)22-17/h1-2,4-7,10,22H,3,8-9,20H2,(H,21,23).
What are the key properties of N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine has a molecular weight of 324.82 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 90670036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).