N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine

C25H22N4 — CID 44537213

IUPACN-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine
SMILESCCn1c2ccccc2c2cc(C=NNc3cc(C)nc4ccccc34)ccc21
InChIInChI=1S/C25H22N4/c1-3-29-24-11-7-5-8-19(24)21-15-18(12-13-25(21)29)16-26-28-23-14-17(2)27-22-10-6-4-9-20(22)23/h4-16H,3H2,1-2H3,(H,27,28)
InChIKeyABTPQIPBAGTLCD-UHFFFAOYSA-N
MW378.48 g/mol
LogP6.12
Rot. Bonds4

About N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine

N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine (PubChem CID 44537213) has the molecular formula C25H22N4 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine
PubChem CID44537213
Molecular FormulaC25H22N4
Molecular Weight378.48 g/mol
Exact Mass378.18
IUPAC NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine
SMILESCCn1c2ccccc2c2cc(C=NNc3cc(C)nc4ccccc34)ccc21
InChIInChI=1S/C25H22N4/c1-3-29-24-11-7-5-8-19(24)21-15-18(12-13-25(21)29)16-26-28-23-14-17(2)27-22-10-6-4-9-20(22)23/h4-16H,3H2,1-2H3,(H,27,28)
InChIKeyABTPQIPBAGTLCD-UHFFFAOYSA-N
XLogP6.12
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine (CID 44537213) is N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine is CCn1c2ccccc2c2cc(C=NNc3cc(C)nc4ccccc34)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine?
The InChIKey is ABTPQIPBAGTLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4/c1-3-29-24-11-7-5-8-19(24)21-15-18(12-13-25(21)29)16-26-28-23-14-17(2)27-22-10-6-4-9-20(22)23/h4-16H,3H2,1-2H3,(H,27,28).
What are the key properties of N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine?
N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine is sourced from PubChem (CID 44537213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).