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

C19H19ClN4 — CID 90670037

IUPACN'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12
InChIInChI=1S/C19H19ClN4/c1-11(9-21)10-22-19-17-13-4-2-3-5-15(13)23-18(17)14-8-12(20)6-7-16(14)24-19/h2-8,11,23H,9-10,21H2,1H3,(H,22,24)
InChIKeyBCOYXYPVMBTPPI-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.53
Rot. Bonds4

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

N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine (PubChem CID 90670037) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine
PubChem CID90670037
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC NameN'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12
InChIInChI=1S/C19H19ClN4/c1-11(9-21)10-22-19-17-13-4-2-3-5-15(13)23-18(17)14-8-12(20)6-7-16(14)24-19/h2-8,11,23H,9-10,21H2,1H3,(H,22,24)
InChIKeyBCOYXYPVMBTPPI-UHFFFAOYSA-N
XLogP4.53
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine (CID 90670037) is N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine is CC(CN)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12.
What is the InChIKey of N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine?
The InChIKey is BCOYXYPVMBTPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-11(9-21)10-22-19-17-13-4-2-3-5-15(13)23-18(17)14-8-12(20)6-7-16(14)24-19/h2-8,11,23H,9-10,21H2,1H3,(H,22,24).
What are the key properties of N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine?
N'-(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)-2-methylpropane-1,3-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.53, 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)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 90670037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).