6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine

C16H16BrN3O — CID 61469421

IUPAC6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine
SMILESCC(Cc1ccco1)Nc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C16H16BrN3O/c1-10(7-12-3-2-6-21-12)20-16-13-8-11(17)4-5-15(13)19-9-14(16)18/h2-6,8-10H,7,18H2,1H3,(H,19,20)
InChIKeyCEKBDQDLSHBDOV-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.22
Rot. Bonds4

About 6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine

6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine (PubChem CID 61469421) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine
PubChem CID61469421
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine
SMILESCC(Cc1ccco1)Nc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C16H16BrN3O/c1-10(7-12-3-2-6-21-12)20-16-13-8-11(17)4-5-15(13)19-9-14(16)18/h2-6,8-10H,7,18H2,1H3,(H,19,20)
InChIKeyCEKBDQDLSHBDOV-UHFFFAOYSA-N
XLogP4.22
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-N-[1-(furan-2-yl)ethyl]quinoline-3,4-diamine
CID 43621334
6-bromo-4-N-(1-cyclopropylpropan-2-yl)quinoline-3,4-diamine
CID 63988688
2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol
CID 43621318
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554
6-bromo-4-N-(2-methylbutyl)quinoline-3,4-diamine
CID 55186742
6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine
CID 63981205
7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine
CID 83166149
4-N-[(2R)-1-phenylpropan-2-yl]quinoline-3,4-diamine
CID 155388769
5-bromo-N-[1-(furan-2-yl)propan-2-yl]-4-methylpyridin-2-amine
CID 115773907
1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 107151123
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine (CID 61469421) is 6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine is CC(Cc1ccco1)Nc1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine?
The InChIKey is CEKBDQDLSHBDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-10(7-12-3-2-6-21-12)20-16-13-8-11(17)4-5-15(13)19-9-14(16)18/h2-6,8-10H,7,18H2,1H3,(H,19,20).
What are the key properties of 6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine?
6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine has a molecular weight of 346.23 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine is sourced from PubChem (CID 61469421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).