2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde

C17H23NO — CID 50868619

IUPAC2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde
SMILESCCCN1c2cc(C)c(C=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C17H23NO/c1-6-7-18-16-8-12(2)14(11-19)9-15(16)13(3)10-17(18,4)5/h8-11H,6-7H2,1-5H3
InChIKeyKBKGDXQMDJFTRY-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.22
Rot. Bonds3

About 2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde

2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde (PubChem CID 50868619) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde.

Molecular Properties

Compound Name2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde
PubChem CID50868619
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde
SMILESCCCN1c2cc(C)c(C=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C17H23NO/c1-6-7-18-16-8-12(2)14(11-19)9-15(16)13(3)10-17(18,4)5/h8-11H,6-7H2,1-5H3
InChIKeyKBKGDXQMDJFTRY-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50868475
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868677
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50868976
N-naphthalen-2-yl-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869022
N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868575
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
2-methyl-3-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50869023
(Z)-2-(4-fluorophenyl)-3-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)prop-2-enenitrile
CID 50868738
N-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50869755

Frequently Asked Questions

What is the IUPAC name of 2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde?
The IUPAC name of 2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde (CID 50868619) is 2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde.
What is the SMILES notation for 2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde?
The canonical SMILES for 2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde is CCCN1c2cc(C)c(C=O)cc2C(C)=CC1(C)C.
What is the InChIKey of 2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde?
The InChIKey is KBKGDXQMDJFTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-6-7-18-16-8-12(2)14(11-19)9-15(16)13(3)10-17(18,4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of 2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde?
2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde has a molecular weight of 257.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde is sourced from PubChem (CID 50868619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).