N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine

C24H20N4O2 — CID 150525792

IUPACN,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine
SMILESCc1cc(N(C)c2ccc3c(c2)c2cc([N+](=O)[O-])ccc2n3C)c2ccccc2n1
InChIInChI=1S/C24H20N4O2/c1-15-12-24(18-6-4-5-7-21(18)25-15)26(2)16-8-10-22-19(13-16)20-14-17(28(29)30)9-11-23(20)27(22)3/h4-14H,1-3H3
InChIKeyICUAXOAZZIAOQB-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.86
Rot. Bonds3

About N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine

N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine (PubChem CID 150525792) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine.

Molecular Properties

Compound NameN,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine
PubChem CID150525792
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine
SMILESCc1cc(N(C)c2ccc3c(c2)c2cc([N+](=O)[O-])ccc2n3C)c2ccccc2n1
InChIInChI=1S/C24H20N4O2/c1-15-12-24(18-6-4-5-7-21(18)25-15)26(2)16-8-10-22-19(13-16)20-14-17(28(29)30)9-11-23(20)27(22)3/h4-14H,1-3H3
InChIKeyICUAXOAZZIAOQB-UHFFFAOYSA-N
XLogP5.86
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.86
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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Frequently Asked Questions

What is the IUPAC name of N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine?
The IUPAC name of N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine (CID 150525792) is N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine.
What is the SMILES notation for N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine?
The canonical SMILES for N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine is Cc1cc(N(C)c2ccc3c(c2)c2cc([N+](=O)[O-])ccc2n3C)c2ccccc2n1.
What is the InChIKey of N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine?
The InChIKey is ICUAXOAZZIAOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-12-24(18-6-4-5-7-21(18)25-15)26(2)16-8-10-22-19(13-16)20-14-17(28(29)30)9-11-23(20)27(22)3/h4-14H,1-3H3.
What are the key properties of N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine?
N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine has a molecular weight of 396.45 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethyl-N-(2-methylquinolin-4-yl)-6-nitrocarbazol-3-amine is sourced from PubChem (CID 150525792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).