N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine

C21H22N4O2 — CID 1208330

IUPACN,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine
SMILESCCN(CC)CCn1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21
InChIInChI=1S/C21H22N4O2/c1-3-23(4-2)11-12-24-19-8-6-5-7-17(19)21-20(24)14-15-13-16(25(26)27)9-10-18(15)22-21/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyUDCCETPAMRECQX-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.59
Rot. Bonds6

About N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine

N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine (PubChem CID 1208330) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine
PubChem CID1208330
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine
SMILESCCN(CC)CCn1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21
InChIInChI=1S/C21H22N4O2/c1-3-23(4-2)11-12-24-19-8-6-5-7-17(19)21-20(24)14-15-13-16(25(26)27)9-10-18(15)22-21/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyUDCCETPAMRECQX-UHFFFAOYSA-N
XLogP4.59
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Cryptolepine hydrochloride
CID 156093
9-ethyl-3-nitro-9H-carbazole
CID 66573
Cryptolepine
CID 82143
Syuiq-5
CID 10567578
9H-Carbazole, 9-methyl-3-nitro-
CID 148931
1-(2-nitrophenethyl)-1H-pyrrolo[3,2-b]pyridine
CID 45272467
N,9-dimethyl-N-(2-methylquinolin-4-yl)carbazol-3-amine
CID 146506866
3-nitro-9-isopropyl-9H-carbazole
CID 617471
N,N-Diethyl-N'-(10h-Indolo[3,2-B]quinolin-11-Yl)ethane-1,2-Diamine
CID 44420780
7-Nitro-9-benzylamino-1,2,3,4-tetrahydroacridine
CID 23644773
N'-10H-indolo[3,2-b]quinolin-2-yl-N,N-dimethylimidoformamide
CID 2882843
2-Methyl-4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]quinoline
CID 2885420

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine (CID 1208330) is N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine is CCN(CC)CCn1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21.
What is the InChIKey of N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine?
The InChIKey is UDCCETPAMRECQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-23(4-2)11-12-24-19-8-6-5-7-17(19)21-20(24)14-15-13-16(25(26)27)9-10-18(15)22-21/h5-10,13-14H,3-4,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine?
N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine has a molecular weight of 362.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine is sourced from PubChem (CID 1208330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).