N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene

C24H27N3OS — CID 143292872

IUPACN-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene
SMILESCC(C)(C)c1ccc2nc3sc(C(=O)NCCN)cc3cc2c1.c1ccccc1
InChIInChI=1S/C18H21N3OS.C6H6/c1-18(2,3)13-4-5-14-11(9-13)8-12-10-15(23-17(12)21-14)16(22)20-7-6-19;1-2-4-6-5-3-1/h4-5,8-10H,6-7,19H2,1-3H3,(H,20,22);1-6H
InChIKeyBPFRWHFTNCFCKT-UHFFFAOYSA-N
MW405.57 g/mol
LogP5.12
Rot. Bonds3

About N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene

N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene (PubChem CID 143292872) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene
PubChem CID143292872
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC NameN-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene
SMILESCC(C)(C)c1ccc2nc3sc(C(=O)NCCN)cc3cc2c1.c1ccccc1
InChIInChI=1S/C18H21N3OS.C6H6/c1-18(2,3)13-4-5-14-11(9-13)8-12-10-15(23-17(12)21-14)16(22)20-7-6-19;1-2-4-6-5-3-1/h4-5,8-10H,6-7,19H2,1-3H3,(H,20,22);1-6H
InChIKeyBPFRWHFTNCFCKT-UHFFFAOYSA-N
XLogP5.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene
CID 143292866
6-tert-butyl-N-[2-(dimethylamino)ethyl]thieno[2,3-b]quinoline-2-carboxamide;6-tert-butylthieno[2,3-b]quinoline-2-carboxylic acid
CID 158508913
6-tert-butylthieno[2,3-b]quinoline-2-carboxamide
CID 11854062
N-[(1R)-2-amino-1-(3-aminophenyl)ethyl]-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide
CID 11854576
N-[(1S)-2-amino-1-[3-(pyrazine-2-carbonylamino)phenyl]ethyl]-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide
CID 58770874
N-(2-aminoethyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847752
6-methoxy-N-[(2-methoxyphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 22434613
7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3628117
N-(3-methoxypropyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
CID 22434505
N-(2-aminoethyl)benzamide;ethane
CID 143976252
6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide
CID 20966316
6-methoxy-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-b]quinoline-2-carboxamide
CID 15995302

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene?
The IUPAC name of N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene (CID 143292872) is N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene.
What is the SMILES notation for N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene?
The canonical SMILES for N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene is CC(C)(C)c1ccc2nc3sc(C(=O)NCCN)cc3cc2c1.c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene?
The InChIKey is BPFRWHFTNCFCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS.C6H6/c1-18(2,3)13-4-5-14-11(9-13)8-12-10-15(23-17(12)21-14)16(22)20-7-6-19;1-2-4-6-5-3-1/h4-5,8-10H,6-7,19H2,1-3H3,(H,20,22);1-6H.
What are the key properties of N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene?
N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene has a molecular weight of 405.57 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene is sourced from PubChem (CID 143292872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).