6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide

C15H15BrFN3O2 — CID 118502893

IUPAC6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide
SMILESNC(=O)c1cnc2cc(F)c(Br)cc2c1N[C@H]1CCCOC1
InChIInChI=1S/C15H15BrFN3O2/c16-11-4-9-13(5-12(11)17)19-6-10(15(18)21)14(9)20-8-2-1-3-22-7-8/h4-6,8H,1-3,7H2,(H2,18,21)(H,19,20)/t8-/m0/s1
InChIKeyZTEPOEXHQPEWDH-QMMMGPOBSA-N
MW368.21 g/mol
LogP2.83
Rot. Bonds3

About 6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide

6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide (PubChem CID 118502893) has the molecular formula C15H15BrFN3O2 and a molecular weight of 368.21 g/mol. Its IUPAC name is 6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide
PubChem CID118502893
Molecular FormulaC15H15BrFN3O2
Molecular Weight368.21 g/mol
Exact Mass367.03
IUPAC Name6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide
SMILESNC(=O)c1cnc2cc(F)c(Br)cc2c1N[C@H]1CCCOC1
InChIInChI=1S/C15H15BrFN3O2/c16-11-4-9-13(5-12(11)17)19-6-10(15(18)21)14(9)20-8-2-1-3-22-7-8/h4-6,8H,1-3,7H2,(H2,18,21)(H,19,20)/t8-/m0/s1
InChIKeyZTEPOEXHQPEWDH-QMMMGPOBSA-N
XLogP2.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-7-fluoro-4-(oxan-3-ylamino)quinoline-3-carboxylic acid
CID 129121205
6-bromo-7-fluoro-4-[[(1S,3R)-3-hydroxycyclopentyl]amino]quinoline-3-carboxylic acid
CID 118523363
N-(5-bromo-2,4-difluorophenyl)oxan-3-amine
CID 102852792
N-(4-bromo-2,5-difluorophenyl)oxan-3-amine
CID 107609816
6-bromo-7-fluoro-4-[[(3S)-3-methyloxan-3-yl]amino]quinoline-3-carboxylic acid
CID 130421172
4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide
CID 71237990
2-fluoro-5-(oxepan-4-ylamino)benzamide
CID 65082139
5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
CID 127015469
2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
CID 115033816
ethyl 6-bromo-4-(cyclopropylamino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 151614277
3-bromo-4-(oxan-3-ylamino)benzoic acid
CID 82801534
1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629470

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide?
The IUPAC name of 6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide (CID 118502893) is 6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide.
What is the SMILES notation for 6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide?
The canonical SMILES for 6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide is NC(=O)c1cnc2cc(F)c(Br)cc2c1N[C@H]1CCCOC1.
What is the InChIKey of 6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide?
The InChIKey is ZTEPOEXHQPEWDH-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H15BrFN3O2/c16-11-4-9-13(5-12(11)17)19-6-10(15(18)21)14(9)20-8-2-1-3-22-7-8/h4-6,8H,1-3,7H2,(H2,18,21)(H,19,20)/t8-/m0/s1.
What are the key properties of 6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide?
6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide has a molecular weight of 368.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-4-[[(3S)-oxan-3-yl]amino]quinoline-3-carboxamide is sourced from PubChem (CID 118502893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).