6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide

C18H13ClFN3O2 — CID 156906287

IUPAC6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1cncc2ccncc12)C1CCOc2cc(F)c(Cl)cc21
InChIInChI=1S/C18H13ClFN3O2/c19-14-5-12-11(2-4-25-17(12)6-15(14)20)18(24)23-16-9-22-7-10-1-3-21-8-13(10)16/h1,3,5-9,11H,2,4H2,(H,23,24)
InChIKeyAFRPJKUVYRVGEC-UHFFFAOYSA-N
MW357.77 g/mol
LogP3.93
Rot. Bonds2

About 6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide

6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 156906287) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID156906287
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1cncc2ccncc12)C1CCOc2cc(F)c(Cl)cc21
InChIInChI=1S/C18H13ClFN3O2/c19-14-5-12-11(2-4-25-17(12)6-15(14)20)18(24)23-16-9-22-7-10-1-3-21-8-13(10)16/h1,3,5-9,11H,2,4H2,(H,23,24)
InChIKeyAFRPJKUVYRVGEC-UHFFFAOYSA-N
XLogP3.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-6-chloro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 156906883
5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 156907081
N-phthalazin-5-yl-3,4-dihydro-2H-chromene-4-carboxamide
CID 155944873
6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 156906877
(4R)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-2H-thiochromene-4-carboxamide
CID 169408281
(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82717481
1-acetyl-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 156906871
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-isoquinolin-5-ylurea
CID 53250374
1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-isoquinolin-5-ylurea
CID 25264620
6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide
CID 156906879
5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 29372005
(4R)-6-chloro-N-isoquinolin-4-yl-N-prop-2-enoyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 156907014

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of 6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 156906287) is 6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for 6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for 6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide is O=C(Nc1cncc2ccncc12)C1CCOc2cc(F)c(Cl)cc21.
What is the InChIKey of 6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is AFRPJKUVYRVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c19-14-5-12-11(2-4-25-17(12)6-15(14)20)18(24)23-16-9-22-7-10-1-3-21-8-13(10)16/h1,3,5-9,11H,2,4H2,(H,23,24).
What are the key properties of 6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 357.77 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 156906287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).