1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine

C30H42N4 — CID 91013575

IUPAC1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine
SMILES[H]/N=C1\C=C(C)N(CCCCCCCCCCN2C(C)=C/C(=N\[H])C3=CCC=CC32)C2C=CCC=C12
InChIInChI=1S/C30H42N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h11-12,15-18,21-22,29-32H,3-10,13-14,19-20H2,1-2H3/b31-27+,32-28+
InChIKeyQPLZABUCOVUFAL-WWQQVGJXSA-N
MW458.69 g/mol
LogP7.10
Rot. Bonds11

About 1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine

1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine (PubChem CID 91013575) has the molecular formula C30H42N4 and a molecular weight of 458.69 g/mol. Its IUPAC name is 1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine.

Molecular Properties

Compound Name1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine
PubChem CID91013575
Molecular FormulaC30H42N4
Molecular Weight458.69 g/mol
Exact Mass458.34
IUPAC Name1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine
SMILES[H]/N=C1\C=C(C)N(CCCCCCCCCCN2C(C)=C/C(=N\[H])C3=CCC=CC32)C2C=CCC=C12
InChIInChI=1S/C30H42N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h11-12,15-18,21-22,29-32H,3-10,13-14,19-20H2,1-2H3/b31-27+,32-28+
InChIKeyQPLZABUCOVUFAL-WWQQVGJXSA-N
XLogP7.10
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine with MolForge

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Related Compounds

1-[10-(4-imino-6-octyl-2,3-dihydropyridin-1-yl)decyl]-N-octylpyridin-4-imine
CID 123992192
(6S)-6-N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-6-N-methyloctane-3,6-diamine
CID 166548881
1-Decyl-2-methyl-8,8a-dihydroquinolin-1-ium-4-amine iodide
CID 44280262
1-Decyl-2-methyl-8,8a-dihydroquinolin-1-ium-4-amine
CID 44280263
5-Ethyl-6-heptyl-3-imino-3,5-dihydrophenanthridin-8-amine--hydrogen bromide (1/1)
CID 138400995
5-Ethyl-6-heptyl-3-iminophenanthridin-8-amine
CID 138400996
5-Ethyl-3-imino-6-nonyl-3,5-dihydrophenanthridin-8-amine--hydrogen bromide (1/1)
CID 138400997
5-Ethyl-3-imino-6-nonylphenanthridin-8-amine
CID 138400998
5-Ethyl-3-imino-6-undecyl-3,5-dihydrophenanthridin-8-amine--hydrogen bromide (1/1)
CID 138400999
5-Ethyl-3-imino-6-undecylphenanthridin-8-amine
CID 138401000
5-Ethyl-3-imino-6-pentadecyl-3,5-dihydrophenanthridin-8-amine--hydrogen bromide (1/1)
CID 138401014
5-Ethyl-3-imino-6-pentadecylphenanthridin-8-amine
CID 138401015

Frequently Asked Questions

What is the IUPAC name of 1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine?
The IUPAC name of 1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine (CID 91013575) is 1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine.
What is the SMILES notation for 1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine?
The canonical SMILES for 1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine is [H]/N=C1\C=C(C)N(CCCCCCCCCCN2C(C)=C/C(=N\[H])C3=CCC=CC32)C2C=CCC=C12.
What is the InChIKey of 1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine?
The InChIKey is QPLZABUCOVUFAL-WWQQVGJXSA-N. The full InChI is InChI=1S/C30H42N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h11-12,15-18,21-22,29-32H,3-10,13-14,19-20H2,1-2H3/b31-27+,32-28+.
What are the key properties of 1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine?
1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine has a molecular weight of 458.69 g/mol, XLogP of 7.10, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(4-imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine is sourced from PubChem (CID 91013575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).