9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride

C19H13FN4O3 — CID 53328441

IUPAC9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride
SMILESCOc1cccn2c(=O)c(C(=O)F)c(Nc3ccc4ncccc4c3)nc12
InChIInChI=1S/C19H13FN4O3/c1-27-14-5-3-9-24-18(14)23-17(15(16(20)25)19(24)26)22-12-6-7-13-11(10-12)4-2-8-21-13/h2-10,22H,1H3
InChIKeyOGCINNHHKLRWKU-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.10
Rot. Bonds4

About 9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride

9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride (PubChem CID 53328441) has the molecular formula C19H13FN4O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is 9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride.

Molecular Properties

Compound Name9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride
PubChem CID53328441
Molecular FormulaC19H13FN4O3
Molecular Weight364.34 g/mol
Exact Mass364.10
IUPAC Name9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride
SMILESCOc1cccn2c(=O)c(C(=O)F)c(Nc3ccc4ncccc4c3)nc12
InChIInChI=1S/C19H13FN4O3/c1-27-14-5-3-9-24-18(14)23-17(15(16(20)25)19(24)26)22-12-6-7-13-11(10-12)4-2-8-21-13/h2-10,22H,1H3
InChIKeyOGCINNHHKLRWKU-UHFFFAOYSA-N
XLogP3.10
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-9-methoxy-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-4-one
CID 53328986
ethyl (E)-3-[9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
CID 67313791
2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide
CID 159820629
3-(hydroxymethyl)-9-methoxy-2-[(3-methylbenzimidazol-5-yl)amino]pyrido[1,2-a]pyrimidin-4-one
CID 71184568
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880
2-(3-chloro-4-hydroxyanilino)-3-ethyl-9-methoxypyrido[1,2-a]pyrimidin-4-one
CID 143923014
[4-[[3-(hydroxymethyl)-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-2-yl]amino]phenyl]methylphosphonic acid
CID 123555660
3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
CID 78878548
10-methoxy-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 101467836
6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine
CID 115320727
[3-[(3-methoxycarbonyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]phenyl]chloranium
CID 163811261
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride?
The IUPAC name of 9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride (CID 53328441) is 9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride.
What is the SMILES notation for 9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride?
The canonical SMILES for 9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride is COc1cccn2c(=O)c(C(=O)F)c(Nc3ccc4ncccc4c3)nc12.
What is the InChIKey of 9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride?
The InChIKey is OGCINNHHKLRWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O3/c1-27-14-5-3-9-24-18(14)23-17(15(16(20)25)19(24)26)22-12-6-7-13-11(10-12)4-2-8-21-13/h2-10,22H,1H3.
What are the key properties of 9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride?
9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride has a molecular weight of 364.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-oxo-2-(quinolin-6-ylamino)pyrido[1,2-a]pyrimidine-3-carbonyl fluoride is sourced from PubChem (CID 53328441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).