N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine

C21H26N4 — CID 135947897

IUPACN-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine
SMILESCCc1nc2c(c3[nH]c4ccccc4c13)/C(=N\N(C)C)CC(C)(C)C2
InChIInChI=1S/C21H26N4/c1-6-14-18-13-9-7-8-10-15(13)23-20(18)19-16(22-14)11-21(2,3)12-17(19)24-25(4)5/h7-10,23H,6,11-12H2,1-5H3/b24-17-
InChIKeyNJJWWNAZERCYSC-ULJHMMPZSA-N
MW334.47 g/mol
LogP4.52
Rot. Bonds2

About N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine

N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine (PubChem CID 135947897) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine
PubChem CID135947897
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC NameN-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine
SMILESCCc1nc2c(c3[nH]c4ccccc4c13)/C(=N\N(C)C)CC(C)(C)C2
InChIInChI=1S/C21H26N4/c1-6-14-18-13-9-7-8-10-15(13)23-20(18)19-16(22-14)11-21(2,3)12-17(19)24-25(4)5/h7-10,23H,6,11-12H2,1-5H3/b24-17-
InChIKeyNJJWWNAZERCYSC-ULJHMMPZSA-N
XLogP4.52
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine?
The IUPAC name of N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine (CID 135947897) is N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine?
The canonical SMILES for N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine is CCc1nc2c(c3[nH]c4ccccc4c13)/C(=N\N(C)C)CC(C)(C)C2.
What is the InChIKey of N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine?
The InChIKey is NJJWWNAZERCYSC-ULJHMMPZSA-N. The full InChI is InChI=1S/C21H26N4/c1-6-14-18-13-9-7-8-10-15(13)23-20(18)19-16(22-14)11-21(2,3)12-17(19)24-25(4)5/h7-10,23H,6,11-12H2,1-5H3/b24-17-.
What are the key properties of N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine?
N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine has a molecular weight of 334.47 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-ethyl-3,3-dimethyl-4,11-dihydro-2H-indolo[3,2-c]quinolin-1-ylidene)amino]-N-methylmethanamine is sourced from PubChem (CID 135947897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).