4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide

C15H17N3OS2 — CID 115752010

IUPAC4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCC2CSCCS2)nc2ccccc12
InChIInChI=1S/C15H17N3OS2/c16-12-7-14(18-13-4-2-1-3-11(12)13)15(19)17-8-10-9-20-5-6-21-10/h1-4,7,10H,5-6,8-9H2,(H2,16,18)(H,17,19)
InChIKeyVETUQKOWRHITBQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.40
Rot. Bonds3

About 4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide

4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 115752010) has the molecular formula C15H17N3OS2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide
PubChem CID115752010
Molecular FormulaC15H17N3OS2
Molecular Weight319.45 g/mol
Exact Mass319.08
IUPAC Name4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCC2CSCCS2)nc2ccccc12
InChIInChI=1S/C15H17N3OS2/c16-12-7-14(18-13-4-2-1-3-11(12)13)15(19)17-8-10-9-20-5-6-21-10/h1-4,7,10H,5-6,8-9H2,(H2,16,18)(H,17,19)
InChIKeyVETUQKOWRHITBQ-UHFFFAOYSA-N
XLogP2.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Chloroethyl)-2-quinolinecarboxamide
CID 2305179
5-(1,2-dithiolan-3-yl)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]pentanamide
CID 11304963
5-(1,2-dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide
CID 11316712
5-(1,2-dithiolan-3-yl)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pentanamide
CID 11352229
5-(1,2-dithiolan-3-yl)-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pentanamide
CID 11385572
5-(1,2-dithiolan-3-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]pentanamide
CID 11752376
5-(1,2-dithiolan-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]pentanamide
CID 23645223
[(2S,4S)-4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 66560612
Cambridge id 7007502
CID 753478
N-benzylquinoline-2-carboxamide
CID 1547970
N-phenylquinoline-2-carboxamide
CID 344116
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide (CID 115752010) is 4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide is Nc1cc(C(=O)NCC2CSCCS2)nc2ccccc12.
What is the InChIKey of 4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is VETUQKOWRHITBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c16-12-7-14(18-13-4-2-1-3-11(12)13)15(19)17-8-10-9-20-5-6-21-10/h1-4,7,10H,5-6,8-9H2,(H2,16,18)(H,17,19).
What are the key properties of 4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide?
4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 115752010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).