1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine

C16H15BrN2OS — CID 107313258

IUPAC1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine
SMILESCC(N)C(Oc1ccc2cccnc2c1)c1cc(Br)cs1
InChIInChI=1S/C16H15BrN2OS/c1-10(18)16(15-7-12(17)9-21-15)20-13-5-4-11-3-2-6-19-14(11)8-13/h2-10,16H,18H2,1H3
InChIKeyMINBCQQAIALDMI-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.53
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine

1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine (PubChem CID 107313258) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine
PubChem CID107313258
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC Name1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine
SMILESCC(N)C(Oc1ccc2cccnc2c1)c1cc(Br)cs1
InChIInChI=1S/C16H15BrN2OS/c1-10(18)16(15-7-12(17)9-21-15)20-13-5-4-11-3-2-6-19-14(11)8-13/h2-10,16H,18H2,1H3
InChIKeyMINBCQQAIALDMI-UHFFFAOYSA-N
XLogP4.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3,5-dimethylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
CID 107722699
7-(dichloromethoxy)quinoline
CID 174788382
3-methyl-2-quinolin-7-yloxybutanoic acid
CID 107313050
N-methyl-2-quinolin-7-yloxypropan-1-amine
CID 107313762
7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434593
N-(2-methylpropyl)-4-quinolin-7-yloxypentan-1-amine
CID 107315179
2-methyl-N-(2-quinolin-7-yloxypropyl)propan-2-amine
CID 107314978
(1S)-1-(5-quinolin-7-yloxy-2-pyridinyl)ethanamine
CID 107313875
3-amino-4-methoxy-2-quinolin-7-yloxybutan-1-ol
CID 107313486
1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980448
(1R)-1-(2-quinolin-7-yloxy-4-pyridinyl)ethanamine
CID 107313902
2-methoxy-1-quinolin-7-ylpropan-1-amine
CID 81232148

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine (CID 107313258) is 1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine is CC(N)C(Oc1ccc2cccnc2c1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine?
The InChIKey is MINBCQQAIALDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c1-10(18)16(15-7-12(17)9-21-15)20-13-5-4-11-3-2-6-19-14(11)8-13/h2-10,16H,18H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine?
1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine has a molecular weight of 363.28 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-quinolin-7-yloxypropan-2-amine is sourced from PubChem (CID 107313258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).