(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol

C13H15BrN2O2 — CID 97062756

IUPAC(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CNc1ccc2cccc(Br)c2n1
InChIInChI=1S/C13H15BrN2O2/c1-18-8-10(17)7-15-12-6-5-9-3-2-4-11(14)13(9)16-12/h2-6,10,17H,7-8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyPCPMOFHEZXVXRN-JTQLQIEISA-N
MW311.18 g/mol
LogP2.42
Rot. Bonds5

About (2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol

(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol (PubChem CID 97062756) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is (2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol
PubChem CID97062756
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CNc1ccc2cccc(Br)c2n1
InChIInChI=1S/C13H15BrN2O2/c1-18-8-10(17)7-15-12-6-5-9-3-2-4-11(14)13(9)16-12/h2-6,10,17H,7-8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyPCPMOFHEZXVXRN-JTQLQIEISA-N
XLogP2.42
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol
CID 107599499
8-bromo-N-propan-2-ylquinolin-2-amine
CID 84639829
8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine
CID 133370284
8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine
CID 133370213
3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile
CID 103468525
1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 107874714
1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80712438
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460234
(2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol
CID 169259557
1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol
CID 133300798

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of (2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol (CID 97062756) is (2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol is COC[C@@H](O)CNc1ccc2cccc(Br)c2n1.
What is the InChIKey of (2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is PCPMOFHEZXVXRN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-18-8-10(17)7-15-12-6-5-9-3-2-4-11(14)13(9)16-12/h2-6,10,17H,7-8H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol?
(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 311.18 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 97062756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).