4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide

C18H21N3 — CID 114483358

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C18H21N3/c1-13-11-15(18(19)20)8-9-16(13)12-21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H3,19,20)
InChIKeyCZOVZFRVQOHJKN-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.23
Rot. Bonds3

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide (PubChem CID 114483358) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide
PubChem CID114483358
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C18H21N3/c1-13-11-15(18(19)20)8-9-16(13)12-21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H3,19,20)
InChIKeyCZOVZFRVQOHJKN-UHFFFAOYSA-N
XLogP3.23
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483353
4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482447
3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 43375573
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol
CID 112616048
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-fluorobenzenecarbothioamide
CID 63293058
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-methylbenzenecarboximidamide
CID 114483448
4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483641
2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methoxyphenyl]benzoic acid
CID 11486433
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)benzenecarboximidamide
CID 81268399
4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483636
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide
CID 107109980

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide (CID 114483358) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCCc3ccccc32)c(C)c1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide?
The InChIKey is CZOVZFRVQOHJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-11-15(18(19)20)8-9-16(13)12-21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H3,19,20).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide has a molecular weight of 279.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).