3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide

C22H24FN5O — CID 126757738

IUPAC3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide
SMILESC[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c3cc(N)cnc23)C1
InChIInChI=1S/C22H24FN5O/c1-12-6-13(8-14(24)7-12)16-4-5-26-11-20(16)28-22(29)17-2-3-19(23)18-9-15(25)10-27-21(17)18/h2-5,9-14H,6-8,24-25H2,1H3,(H,28,29)/t12-,13+,14-/m0/s1
InChIKeyRKHZWZUZJKFJNT-MJBXVCDLSA-N
MW393.47 g/mol
LogP3.83
Rot. Bonds3

About 3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide

3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide (PubChem CID 126757738) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide
PubChem CID126757738
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide
SMILESC[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c3cc(N)cnc23)C1
InChIInChI=1S/C22H24FN5O/c1-12-6-13(8-14(24)7-12)16-4-5-26-11-20(16)28-22(29)17-2-3-19(23)18-9-15(25)10-27-21(17)18/h2-5,9-14H,6-8,24-25H2,1H3,(H,28,29)/t12-,13+,14-/m0/s1
InChIKeyRKHZWZUZJKFJNT-MJBXVCDLSA-N
XLogP3.83
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide with MolForge

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Related Compounds

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(3-methylazetidin-1-yl)quinoline-8-carboxamide
CID 126739157
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[[(2S)-3-methylbutan-2-yl]amino]quinoline-8-carboxamide
CID 126739049
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(1H-pyrazol-4-yl)quinoline-8-carboxamide
CID 126738975
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(2-fluoroanilino)quinoline-8-carboxamide
CID 126738982
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(3-fluoroazetidin-1-yl)quinoline-8-carboxamide
CID 126739008
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)quinoline-8-carboxamide
CID 126738954
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide
CID 126738932
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[2-fluoroethyl(methyl)amino]quinoline-8-carboxamide
CID 126739062
N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-5-fluoro-3-(2-methylpyrrolidin-1-yl)quinoline-8-carboxamide
CID 145287552
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(6-fluoroquinolin-8-yl)quinoline-8-carboxamide
CID 126739030
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3R)-3-methylpiperidin-1-yl]quinoline-8-carboxamide
CID 126739028
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2-azabicyclo[2.2.1]heptan-2-yl)-5-fluoroquinoline-8-carboxamide
CID 126738950

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide?
The IUPAC name of 3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide (CID 126757738) is 3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide is C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c3cc(N)cnc23)C1.
What is the InChIKey of 3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide?
The InChIKey is RKHZWZUZJKFJNT-MJBXVCDLSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-12-6-13(8-14(24)7-12)16-4-5-26-11-20(16)28-22(29)17-2-3-19(23)18-9-15(25)10-27-21(17)18/h2-5,9-14H,6-8,24-25H2,1H3,(H,28,29)/t12-,13+,14-/m0/s1.
What are the key properties of 3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide?
3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide is sourced from PubChem (CID 126757738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).