N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine

C22H30N2S — CID 19746084

IUPACN-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine
SMILESCCCCCCCCC/C=N/c1c2c(nc3ccccc13)CCSC2
InChIInChI=1S/C22H30N2S/c1-2-3-4-5-6-7-8-11-15-23-22-18-12-9-10-13-20(18)24-21-14-16-25-17-19(21)22/h9-10,12-13,15H,2-8,11,14,16-17H2,1H3/b23-15+
InChIKeyAKTYLOCKIQJVBN-HZHRSRAPSA-N
MW354.56 g/mol
LogP6.87
Rot. Bonds9

About N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine

N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine (PubChem CID 19746084) has the molecular formula C22H30N2S and a molecular weight of 354.56 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine
PubChem CID19746084
Molecular FormulaC22H30N2S
Molecular Weight354.56 g/mol
Exact Mass354.21
IUPAC NameN-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine
SMILESCCCCCCCCC/C=N/c1c2c(nc3ccccc13)CCSC2
InChIInChI=1S/C22H30N2S/c1-2-3-4-5-6-7-8-11-15-23-22-18-12-9-10-13-20(18)24-21-14-16-25-17-19(21)22/h9-10,12-13,15H,2-8,11,14,16-17H2,1H3/b23-15+
InChIKeyAKTYLOCKIQJVBN-HZHRSRAPSA-N
XLogP6.87
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.56
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-1-pyridin-3-ylmethanimine
CID 19746083
6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline
CID 86078546
N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-(2,6-ditert-butylphenyl)octan-1-imine
CID 42636627
N,N-dipropyl-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110433974
2-(heptylideneamino)benzoic acid
CID 24833810
1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine
CID 174981001
heptane;phenanthrene
CID 157482146
2-(nonylideneamino)phenol
CID 100954410
N-(2-methoxyphenyl)undecan-1-imine
CID 135078926

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine?
The IUPAC name of N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine (CID 19746084) is N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine.
What is the SMILES notation for N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine?
The canonical SMILES for N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine is CCCCCCCCC/C=N/c1c2c(nc3ccccc13)CCSC2.
What is the InChIKey of N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine?
The InChIKey is AKTYLOCKIQJVBN-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H30N2S/c1-2-3-4-5-6-7-8-11-15-23-22-18-12-9-10-13-20(18)24-21-14-16-25-17-19(21)22/h9-10,12-13,15H,2-8,11,14,16-17H2,1H3/b23-15+.
What are the key properties of N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine?
N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine has a molecular weight of 354.56 g/mol, XLogP of 6.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-yl)decan-1-imine is sourced from PubChem (CID 19746084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).