1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine

C18H27N5OS — CID 143169632

IUPAC1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine
SMILESCC(C)Cn1c(CN2CCCS2=O)nc2c(N)nc3c(c21)CCCC3
InChIInChI=1S/C18H27N5OS/c1-12(2)10-23-15(11-22-8-5-9-25(22)24)21-16-17(23)13-6-3-4-7-14(13)20-18(16)19/h12H,3-11H2,1-2H3,(H2,19,20)
InChIKeyQYINTIWINQRCTD-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.42
Rot. Bonds4

About 1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine

1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine (PubChem CID 143169632) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine
PubChem CID143169632
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine
SMILESCC(C)Cn1c(CN2CCCS2=O)nc2c(N)nc3c(c21)CCCC3
InChIInChI=1S/C18H27N5OS/c1-12(2)10-23-15(11-22-8-5-9-25(22)24)21-16-17(23)13-6-3-4-7-14(13)20-18(16)19/h12H,3-11H2,1-2H3,(H2,19,20)
InChIKeyQYINTIWINQRCTD-UHFFFAOYSA-N
XLogP2.42
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(2-methylpropyl)-3,5,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2(6),4,7-tetraen-7-amine
CID 54509393
1,2-diethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine;ethane
CID 91377926
2-butyl-1-(2-methylpropyl)-6,7,8,9-tetrahydroimidazo[4,5-c][1,7]naphthyridin-4-amine
CID 12018530
1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol
CID 143198179
N-[4-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)butyl]propane-2-sulfonamide
CID 20713982
1-(4-amino-2-butyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 21470207
2-methyl-1-(5-methylsulfonylpentyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine
CID 22320424
1-(2-methylpropyl)-2-(morpholin-4-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 10290980
1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 69318179
2-(4-amino-2-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)-N-phenylacetamide
CID 11667165
1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one
CID 58967529
1-[4-(cyclopropylmethylamino)oxybutyl]-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine
CID 143008363

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine (CID 143169632) is 1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine is CC(C)Cn1c(CN2CCCS2=O)nc2c(N)nc3c(c21)CCCC3.
What is the InChIKey of 1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
The InChIKey is QYINTIWINQRCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-12(2)10-23-15(11-22-8-5-9-25(22)24)21-16-17(23)13-6-3-4-7-14(13)20-18(16)19/h12H,3-11H2,1-2H3,(H2,19,20).
What are the key properties of 1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine?
1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine has a molecular weight of 361.52 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-[(1-oxo-1,2-thiazolidin-2-yl)methyl]-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 143169632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).