[5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium

C24H30FN6O2+ — CID 123834257

IUPAC[5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium
SMILESCN(C)C1COCCC1[N+](C)(C)c1nc(Nc2cnc3ccccc3c2)c(C(N)=O)cc1F
InChIInChI=1S/C24H29FN6O2/c1-30(2)20-14-33-10-9-21(20)31(3,4)24-18(25)12-17(22(26)32)23(29-24)28-16-11-15-7-5-6-8-19(15)27-13-16/h5-8,11-13,20-21H,9-10,14H2,1-4H3,(H2-,26,28,29,32)/p+1
InChIKeyNMHZGFCJQFNZJZ-UHFFFAOYSA-O
MW453.54 g/mol
LogP2.90
Rot. Bonds6

About [5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium

[5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium (PubChem CID 123834257) has the molecular formula C24H30FN6O2+ and a molecular weight of 453.54 g/mol. Its IUPAC name is [5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium.

Molecular Properties

Compound Name[5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium
PubChem CID123834257
Molecular FormulaC24H30FN6O2+
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name[5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium
SMILESCN(C)C1COCCC1[N+](C)(C)c1nc(Nc2cnc3ccccc3c2)c(C(N)=O)cc1F
InChIInChI=1S/C24H29FN6O2/c1-30(2)20-14-33-10-9-21(20)31(3,4)24-18(25)12-17(22(26)32)23(29-24)28-16-11-15-7-5-6-8-19(15)27-13-16/h5-8,11-13,20-21H,9-10,14H2,1-4H3,(H2-,26,28,29,32)/p+1
InChIKeyNMHZGFCJQFNZJZ-UHFFFAOYSA-O
XLogP2.90
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium with MolForge

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Launch Full Analysis

Related Compounds

8-amino-2-(3-fluorophenyl)-N-(1-propanoylazetidin-3-yl)-1,7-naphthyridine-5-carboxamide
CID 89730033
8-amino-2-(3-fluorophenyl)-N-(1-(methylcarbamoyl)azetidin-3-yl)-1,7-naphthyridine-5-carboxamide
CID 89730039
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029978
8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029979
8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030093
N-[2-(dimethylamino)ethyl]-8-[(3-fluoro-2-methylanilino)methyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030181
7-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136056548
2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one
CID 59507731
4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
CID 71621001
8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029965
8-[(1R)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029966
8-[(1S)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030078

Frequently Asked Questions

What is the IUPAC name of [5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium?
The IUPAC name of [5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium (CID 123834257) is [5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium.
What is the SMILES notation for [5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium?
The canonical SMILES for [5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium is CN(C)C1COCCC1[N+](C)(C)c1nc(Nc2cnc3ccccc3c2)c(C(N)=O)cc1F.
What is the InChIKey of [5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium?
The InChIKey is NMHZGFCJQFNZJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H29FN6O2/c1-30(2)20-14-33-10-9-21(20)31(3,4)24-18(25)12-17(22(26)32)23(29-24)28-16-11-15-7-5-6-8-19(15)27-13-16/h5-8,11-13,20-21H,9-10,14H2,1-4H3,(H2-,26,28,29,32)/p+1.
What are the key properties of [5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium?
[5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium has a molecular weight of 453.54 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium is sourced from PubChem (CID 123834257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).