4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine

C14H10BrN3S — CID 103002600

IUPAC4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine
SMILESNc1ccc2c(Sc3ccc(Br)cn3)ccnc2c1
InChIInChI=1S/C14H10BrN3S/c15-9-1-4-14(18-8-9)19-13-5-6-17-12-7-10(16)2-3-11(12)13/h1-8H,16H2
InChIKeyHCKRFGZEDKKEIM-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.13
Rot. Bonds2

About 4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine

4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine (PubChem CID 103002600) has the molecular formula C14H10BrN3S and a molecular weight of 332.23 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine
PubChem CID103002600
Molecular FormulaC14H10BrN3S
Molecular Weight332.23 g/mol
Exact Mass330.98
IUPAC Name4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine
SMILESNc1ccc2c(Sc3ccc(Br)cn3)ccnc2c1
InChIInChI=1S/C14H10BrN3S/c15-9-1-4-14(18-8-9)19-13-5-6-17-12-7-10(16)2-3-11(12)13/h1-8H,16H2
InChIKeyHCKRFGZEDKKEIM-UHFFFAOYSA-N
XLogP4.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromophenyl)sulfanylquinolin-7-amine
CID 103002516
4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine
CID 103002556
4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 62112804
4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine
CID 103002487
3-bromo-8-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-5-amine
CID 106950003
2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-benzoxazol-6-amine
CID 61371805
4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine
CID 103002541
2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine
CID 83270139
2-[(5-bromo-2-pyridinyl)sulfanylmethyl]pyridin-4-amine
CID 79260174
1-[4-bromo-2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanone
CID 82972470
S-(5-bromo-2-pyridinyl)thiohydroxylamine
CID 177140372
4-bromo-2-[(5-bromo-2-pyridinyl)sulfanyl]benzoic acid
CID 115382255

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine (CID 103002600) is 4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine is Nc1ccc2c(Sc3ccc(Br)cn3)ccnc2c1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine?
The InChIKey is HCKRFGZEDKKEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3S/c15-9-1-4-14(18-8-9)19-13-5-6-17-12-7-10(16)2-3-11(12)13/h1-8H,16H2.
What are the key properties of 4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine?
4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine has a molecular weight of 332.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)sulfanyl]quinolin-7-amine is sourced from PubChem (CID 103002600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).