N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide

C23H29N3O2 — CID 50860072

IUPACN-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
SMILESCOc1cc2c(cc1/C=N/c1ccc(NC(C)=O)cc1)C(C)CC(C)(C)N2C
InChIInChI=1S/C23H29N3O2/c1-15-13-23(3,4)26(5)21-12-22(28-6)17(11-20(15)21)14-24-18-7-9-19(10-8-18)25-16(2)27/h7-12,14-15H,13H2,1-6H3,(H,25,27)/b24-14+
InChIKeyKAKJTELXQYHDAY-ZVHZXABRSA-N
MW379.50 g/mol
LogP5.13
Rot. Bonds4

About N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide

N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide (PubChem CID 50860072) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
PubChem CID50860072
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
SMILESCOc1cc2c(cc1/C=N/c1ccc(NC(C)=O)cc1)C(C)CC(C)(C)N2C
InChIInChI=1S/C23H29N3O2/c1-15-13-23(3,4)26(5)21-12-22(28-6)17(11-20(15)21)14-24-18-7-9-19(10-8-18)25-16(2)27/h7-12,14-15H,13H2,1-6H3,(H,25,27)/b24-14+
InChIKeyKAKJTELXQYHDAY-ZVHZXABRSA-N
XLogP5.13
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide (CID 50860072) is N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide is COc1cc2c(cc1/C=N/c1ccc(NC(C)=O)cc1)C(C)CC(C)(C)N2C.
What is the InChIKey of N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide?
The InChIKey is KAKJTELXQYHDAY-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15-13-23(3,4)26(5)21-12-22(28-6)17(11-20(15)21)14-24-18-7-9-19(10-8-18)25-16(2)27/h7-12,14-15H,13H2,1-6H3,(H,25,27)/b24-14+.
What are the key properties of N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide?
N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 50860072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).